2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide

C23H27N3O — CID 16995633

IUPAC2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C23H27N3O/c1-25(19-12-6-3-7-13-19)23(27)17-26-21-15-9-8-14-20(21)24-22(26)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3
InChIKeySRSIZZHEDXRPEB-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide

2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide (PubChem CID 16995633) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
PubChem CID16995633
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C23H27N3O/c1-25(19-12-6-3-7-13-19)23(27)17-26-21-15-9-8-14-20(21)24-22(26)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3
InChIKeySRSIZZHEDXRPEB-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-[3-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986998
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 42810558
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide (CID 16995633) is 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide is CN(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide?
The InChIKey is SRSIZZHEDXRPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25(19-12-6-3-7-13-19)23(27)17-26-21-15-9-8-14-20(21)24-22(26)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3.
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide?
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide has a molecular weight of 361.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 16995633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).