2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide

C26H31ClN4O2 — CID 159199211

IUPAC2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide
SMILESCC(=O)NCc1ccc(Cl)c(Cc2nc3cc(C(=O)NCC4CCCCC4)ccc3n2C)c1
InChIInChI=1S/C26H31ClN4O2/c1-17(32)28-16-19-8-10-22(27)21(12-19)14-25-30-23-13-20(9-11-24(23)31(25)2)26(33)29-15-18-6-4-3-5-7-18/h8-13,18H,3-7,14-16H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyKPBFFZOAFVUXOZ-UHFFFAOYSA-N
MW467.01 g/mol
LogP4.76
Rot. Bonds7

About 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide

2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide (PubChem CID 159199211) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide
PubChem CID159199211
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC Name2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide
SMILESCC(=O)NCc1ccc(Cl)c(Cc2nc3cc(C(=O)NCC4CCCCC4)ccc3n2C)c1
InChIInChI=1S/C26H31ClN4O2/c1-17(32)28-16-19-8-10-22(27)21(12-19)14-25-30-23-13-20(9-11-24(23)31(25)2)26(33)29-15-18-6-4-3-5-7-18/h8-13,18H,3-7,14-16H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyKPBFFZOAFVUXOZ-UHFFFAOYSA-N
XLogP4.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[[2-chloro-5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide
CID 158851042
N-[[4-chloro-3-[[5-(3-cyclobutylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 147162369
ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]butanoate
CID 54198551
2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-ethoxy-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide
CID 149476720
N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
CID 161002577
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
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CID 146838889
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
N-[[4-chloro-3-[[5-chloro-6-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 148594219
N-(cycloheptylmethyl)-2-[(2-hydroxyphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 155390103
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
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4-acetamido-N-(cyclohexylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide (CID 159199211) is 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide is CC(=O)NCc1ccc(Cl)c(Cc2nc3cc(C(=O)NCC4CCCCC4)ccc3n2C)c1.
What is the InChIKey of 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is KPBFFZOAFVUXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c1-17(32)28-16-19-8-10-22(27)21(12-19)14-25-30-23-13-20(9-11-24(23)31(25)2)26(33)29-15-18-6-4-3-5-7-18/h8-13,18H,3-7,14-16H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide?
2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 467.01 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 159199211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).