N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H15ClF3N5O — CID 59515627

IUPACN-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(N)cc3[nH]2)c1
InChIInChI=1S/C21H15ClF3N5O/c1-10-13(4-7-18(27-10)21(23,24)25)20(31)28-12-3-5-15(22)14(9-12)19-29-16-6-2-11(26)8-17(16)30-19/h2-9H,26H2,1H3,(H,28,31)(H,29,30)
InChIKeyPCMLAVPCSQFWDY-UHFFFAOYSA-N
MW445.83 g/mol
LogP5.44
Rot. Bonds3

About N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59515627) has the molecular formula C21H15ClF3N5O and a molecular weight of 445.83 g/mol. Its IUPAC name is N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59515627
Molecular FormulaC21H15ClF3N5O
Molecular Weight445.83 g/mol
Exact Mass445.09
IUPAC NameN-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(N)cc3[nH]2)c1
InChIInChI=1S/C21H15ClF3N5O/c1-10-13(4-7-18(27-10)21(23,24)25)20(31)28-12-3-5-15(22)14(9-12)19-29-16-6-2-11(26)8-17(16)30-19/h2-9H,26H2,1H3,(H,28,31)(H,29,30)
InChIKeyPCMLAVPCSQFWDY-UHFFFAOYSA-N
XLogP5.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Friluglanstat
CID 71267445
N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71532255
4-Amino-5-chloro-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 135674147
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-(7H-purin-6-yl)cyclopropanecarbonyl]amino]benzamide
CID 155532132
4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 493035
Azsmo-23
CID 1831449
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methyl-1H-benzimidazol-4-yl)urea
CID 10193842
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]urea
CID 10216527
2-(2-Chlorophenyl)-1H-benzimidazole-4-carboxamide
CID 10492366
2-[4-(4-Chloro-phenylcarbamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 11443510
N-(3-(1H-benzo[d]imidazol-2-yl)-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11502886
N-(4-chloro-3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11525105

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59515627) is N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(N)cc3[nH]2)c1.
What is the InChIKey of N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PCMLAVPCSQFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O/c1-10-13(4-7-18(27-10)21(23,24)25)20(31)28-12-3-5-15(22)14(9-12)19-29-16-6-2-11(26)8-17(16)30-19/h2-9H,26H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 445.83 g/mol, XLogP of 5.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59515627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).