1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide

C23H27N3O2 — CID 3293920

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(C)cc1-n1cnc2cc(C(=O)NC3CCCCC3C)ccc21
InChIInChI=1S/C23H27N3O2/c1-15-8-11-22(28-3)21(12-15)26-14-24-19-13-17(9-10-20(19)26)23(27)25-18-7-5-4-6-16(18)2/h8-14,16,18H,4-7H2,1-3H3,(H,25,27)
InChIKeyDQDRBBQEJZLXRE-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.65
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide

1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide (PubChem CID 3293920) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide
PubChem CID3293920
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(C)cc1-n1cnc2cc(C(=O)NC3CCCCC3C)ccc21
InChIInChI=1S/C23H27N3O2/c1-15-8-11-22(28-3)21(12-15)26-14-24-19-13-17(9-10-20(19)26)23(27)25-18-7-5-4-6-16(18)2/h8-14,16,18H,4-7H2,1-3H3,(H,25,27)
InChIKeyDQDRBBQEJZLXRE-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide
CID 92695155
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide (CID 3293920) is 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide is COc1ccc(C)cc1-n1cnc2cc(C(=O)NC3CCCCC3C)ccc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide?
The InChIKey is DQDRBBQEJZLXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-8-11-22(28-3)21(12-15)26-14-24-19-13-17(9-10-20(19)26)23(27)25-18-7-5-4-6-16(18)2/h8-14,16,18H,4-7H2,1-3H3,(H,25,27).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3293920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).