N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide

C28H28ClN3O — CID 17002085

IUPACN-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1c(-c2cccc(Cl)c2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C28H28ClN3O/c29-23-13-9-12-22(18-23)28-30-25-16-7-8-17-26(25)32(28)20-27(33)31(24-14-5-2-6-15-24)19-21-10-3-1-4-11-21/h1,3-4,7-13,16-18,24H,2,5-6,14-15,19-20H2
InChIKeyXXLHRTLWGBDJRL-UHFFFAOYSA-N
MW458.01 g/mol
LogP6.72
Rot. Bonds6

About N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide

N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide (PubChem CID 17002085) has the molecular formula C28H28ClN3O and a molecular weight of 458.01 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
PubChem CID17002085
Molecular FormulaC28H28ClN3O
Molecular Weight458.01 g/mol
Exact Mass457.19
IUPAC NameN-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1c(-c2cccc(Cl)c2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C28H28ClN3O/c29-23-13-9-12-22(18-23)28-30-25-16-7-8-17-26(25)32(28)20-27(33)31(24-14-5-2-6-15-24)19-21-10-3-1-4-11-21/h1,3-4,7-13,16-18,24H,2,5-6,14-15,19-20H2
InChIKeyXXLHRTLWGBDJRL-UHFFFAOYSA-N
XLogP6.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.01
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967141
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
[(1S)-3-methylcyclohexyl] 2-[2-(3-chlorophenyl)benzimidazol-1-yl]acetate;propane
CID 145328961
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide (CID 17002085) is N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide is O=C(Cn1c(-c2cccc(Cl)c2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is XXLHRTLWGBDJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O/c29-23-13-9-12-22(18-23)28-30-25-16-7-8-17-26(25)32(28)20-27(33)31(24-14-5-2-6-15-24)19-21-10-3-1-4-11-21/h1,3-4,7-13,16-18,24H,2,5-6,14-15,19-20H2.
What are the key properties of N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 458.01 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 17002085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).