2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide

C30H41N5O — CID 142796377

IUPAC2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2C(C(N)=O)C2CCCCC2)c(C2CCCCC2)n1
InChIInChI=1S/C30H41N5O/c1-3-34(4-2)26-20-19-23(27(33-26)21-13-7-5-8-14-21)30-32-24-17-11-12-18-25(24)35(30)28(29(31)36)22-15-9-6-10-16-22/h11-12,17-22,28H,3-10,13-16H2,1-2H3,(H2,31,36)
InChIKeyLIPLQZQKJBVWCN-UHFFFAOYSA-N
MW487.69 g/mol
LogP6.60
Rot. Bonds8

About 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide

2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide (PubChem CID 142796377) has the molecular formula C30H41N5O and a molecular weight of 487.69 g/mol. Its IUPAC name is 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide
PubChem CID142796377
Molecular FormulaC30H41N5O
Molecular Weight487.69 g/mol
Exact Mass487.33
IUPAC Name2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2C(C(N)=O)C2CCCCC2)c(C2CCCCC2)n1
InChIInChI=1S/C30H41N5O/c1-3-34(4-2)26-20-19-23(27(33-26)21-13-7-5-8-14-21)30-32-24-17-11-12-18-25(24)35(30)28(29(31)36)22-15-9-6-10-16-22/h11-12,17-22,28H,3-10,13-16H2,1-2H3,(H2,31,36)
InChIKeyLIPLQZQKJBVWCN-UHFFFAOYSA-N
XLogP6.60
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
CID 68698346
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 126962423
N-cyclohexyl-2-cyclopentyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 69083274
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290161
(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 68697118
N-cyclopentyl-2-(2-cyclopentylbenzimidazol-1-yl)-2-cyclopropylacetamide
CID 53383208
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide (CID 142796377) is 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide is CCN(CC)c1ccc(-c2nc3ccccc3n2C(C(N)=O)C2CCCCC2)c(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide?
The InChIKey is LIPLQZQKJBVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O/c1-3-34(4-2)26-20-19-23(27(33-26)21-13-7-5-8-14-21)30-32-24-17-11-12-18-25(24)35(30)28(29(31)36)22-15-9-6-10-16-22/h11-12,17-22,28H,3-10,13-16H2,1-2H3,(H2,31,36).
What are the key properties of 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide?
2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide has a molecular weight of 487.69 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[2-[2-cyclohexyl-6-(diethylamino)-3-pyridinyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 142796377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).