N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide

C17H16ClN3O2 — CID 110701135

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C17H16ClN3O2/c1-9-7-14(15(23-3)8-12(9)18)21-17(22)11-5-4-6-13-16(11)20-10(2)19-13/h4-8H,1-3H3,(H,19,20)(H,21,22)
InChIKeyKIUMOPVWXBATPT-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.09
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 110701135) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID110701135
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C17H16ClN3O2/c1-9-7-14(15(23-3)8-12(9)18)21-17(22)11-5-4-6-13-16(11)20-10(2)19-13/h4-8H,1-3H3,(H,19,20)(H,21,22)
InChIKeyKIUMOPVWXBATPT-UHFFFAOYSA-N
XLogP4.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
CID 90477654
CID 90477654
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50779982

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide (CID 110701135) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc2[nH]c(C)nc12.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is KIUMOPVWXBATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-9-7-14(15(23-3)8-12(9)18)21-17(22)11-5-4-6-13-16(11)20-10(2)19-13/h4-8H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110701135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).