2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide

C26H16ClF3N4O — CID 44530618

IUPAC2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1cccnc1Cl
InChIInChI=1S/C26H16ClF3N4O/c27-23-20(8-3-11-31-23)25(35)32-19-7-2-5-16(13-19)15-4-1-6-17(12-15)24-33-21-10-9-18(26(28,29)30)14-22(21)34-24/h1-14H,(H,32,35)(H,33,34)
InChIKeyCWDPIVJBPMMURH-UHFFFAOYSA-N
MW492.89 g/mol
LogP7.22
Rot. Bonds4

About 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide

2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide (PubChem CID 44530618) has the molecular formula C26H16ClF3N4O and a molecular weight of 492.89 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide
PubChem CID44530618
Molecular FormulaC26H16ClF3N4O
Molecular Weight492.89 g/mol
Exact Mass492.10
IUPAC Name2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1cccnc1Cl
InChIInChI=1S/C26H16ClF3N4O/c27-23-20(8-3-11-31-23)25(35)32-19-7-2-5-16(13-19)15-4-1-6-17(12-15)24-33-21-10-9-18(26(28,29)30)14-22(21)34-24/h1-14H,(H,32,35)(H,33,34)
InChIKeyCWDPIVJBPMMURH-UHFFFAOYSA-N
XLogP7.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

IN-1130
CID 11676119
Avp-13358
CID 9805635
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
2-(4-(pyridin-2-yl)phenyl)-1H-benzo(d)imidazole-4-carboxamide
CID 44542366
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-oxo-1-adamantyl)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 44436361
2-(4-pyridine-3-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 44541920
2-(4-(Pyridin-4-yl)phenyl)-1H-benzimidazole-4-carboxamide
CID 44542066
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-4-methylbenzamide
CID 49797926
3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 127046319
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromonicotinamide
CID 1207571
Azsmo-23
CID 1831449
2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 10274480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide (CID 44530618) is 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide?
The InChIKey is CWDPIVJBPMMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClF3N4O/c27-23-20(8-3-11-31-23)25(35)32-19-7-2-5-16(13-19)15-4-1-6-17(12-15)24-33-21-10-9-18(26(28,29)30)14-22(21)34-24/h1-14H,(H,32,35)(H,33,34).
What are the key properties of 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide?
2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide has a molecular weight of 492.89 g/mol, XLogP of 7.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44530618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).