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

C21H14ClF3N4O — CID 11502886

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29)
InChIKeyOMFJEUKRJLGMIL-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.86
Rot. Bonds3

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

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11502886) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11502886
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29)
InChIKeyOMFJEUKRJLGMIL-UHFFFAOYSA-N
XLogP5.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59515640
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
CID 90031431
N-[4-chloro-3-[6-[5-(hydroxyamino)-3-methyl-5-oxopentoxy]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 130233444
N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine
CID 158390099
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 90032214
N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone
CID 161208302
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[4-chloro-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11656625

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11502886) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OMFJEUKRJLGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11502886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).