(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide

C31H35N3O3 — CID 68697118

IUPAC(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2[C@H](C(=O)Nc2c(C)cccc2C)C2CCCCC2)c(OC)c1
InChIInChI=1S/C31H35N3O3/c1-20-11-10-12-21(2)28(20)33-31(35)29(22-13-6-5-7-14-22)34-26-16-9-8-15-25(26)32-30(34)24-18-17-23(36-3)19-27(24)37-4/h8-12,15-19,22,29H,5-7,13-14H2,1-4H3,(H,33,35)/t29-/m0/s1
InChIKeyAZPPBUOGTWKZCA-LJAQVGFWSA-N
MW497.64 g/mol
LogP7.10
Rot. Bonds7

About (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide

(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 68697118) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID68697118
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC Name(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2[C@H](C(=O)Nc2c(C)cccc2C)C2CCCCC2)c(OC)c1
InChIInChI=1S/C31H35N3O3/c1-20-11-10-12-21(2)28(20)33-31(35)29(22-13-6-5-7-14-22)34-26-16-9-8-15-25(26)32-30(34)24-18-17-23(36-3)19-27(24)37-4/h8-12,15-19,22,29H,5-7,13-14H2,1-4H3,(H,33,35)/t29-/m0/s1
InChIKeyAZPPBUOGTWKZCA-LJAQVGFWSA-N
XLogP7.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 141449861
methyl 4-[1-[2-(3-aminoanilino)-1-cyclohexyl-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 68695393
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
(1-carbamoylcyclohexyl) 2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-5-phenylpentanoate
CID 175290023
methyl 4-[1-[1-cyclohexyl-2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 68695594
N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
CID 68698346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 68697118) is (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide is COc1ccc(-c2nc3ccccc3n2[C@H](C(=O)Nc2c(C)cccc2C)C2CCCCC2)c(OC)c1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is AZPPBUOGTWKZCA-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-20-11-10-12-21(2)28(20)33-31(35)29(22-13-6-5-7-14-22)34-26-16-9-8-15-25(26)32-30(34)24-18-17-23(36-3)19-27(24)37-4/h8-12,15-19,22,29H,5-7,13-14H2,1-4H3,(H,33,35)/t29-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 497.64 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 68697118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).