Research chemical
CAS Number: 1092829-79-2
![2-((4-Methoxyphenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide molecular structure, CAS 1092829-79-2](/structure-images/1092829-79-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
25165471
Exact Mass
440.14601
InChIKey
IJOLYFZBLJPKPI-UHFFFAOYSA-N
IUPAC Name
2-(4-methoxyanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILES String
COc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-((4-Methoxyphenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide is identified by CAS 1092829-79-2, with molecular formula C23H19F3N4O2, molecular weight 440.4, InChIKey IJOLYFZBLJPKPI-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
32
H-bond acceptors
6
H-bond donors
3
Rotatable bonds
6
Ring count
4
Aromatic rings
4
Topological polar surface area
82.17 Ų
Computed LogP
4.95
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2-((4-Methoxyphenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide (CAS 1092829-79-2) is maintained as a cataloged research chemical with formula C23H19F3N4O2, molecular weight 440. 40 g/mol, PubChem CID 25165471.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Cytochrome P450 2C9 (Homo sapiens) — 2 assays; Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 2C9
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1
Experimental evidence source: ChEMBL
Cytochrome P450 2D6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.