(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide

C24H29N3O3 — CID 126962423

IUPAC(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-25-24(28)22(16-9-5-4-6-10-16)27-20-12-8-7-11-19(20)26-23(27)18-14-13-17(29-2)15-21(18)30-3/h7-8,11-16,22H,4-6,9-10H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyCFLGZNQWFUCEES-QFIPXVFZSA-N
MW407.51 g/mol
LogP4.59
Rot. Bonds6

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

(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 126962423) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID126962423
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-25-24(28)22(16-9-5-4-6-10-16)27-20-12-8-7-11-19(20)26-23(27)18-14-13-17(29-2)15-21(18)30-3/h7-8,11-16,22H,4-6,9-10H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyCFLGZNQWFUCEES-QFIPXVFZSA-N
XLogP4.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.59
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-(2,6-dimethylphenyl)acetamide
CID 68697118
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
2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 141449861
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
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
methyl 4-[1-[2-(3-aminoanilino)-1-cyclohexyl-2-oxoethyl]benzimidazol-2-yl]benzoate
CID 68695393
(1-carbamoylcyclohexyl) 2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-5-phenylpentanoate
CID 175290023
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
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-methylacetamide?
The IUPAC name of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (CID 126962423) is (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is CNC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21.
What is the InChIKey of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is CFLGZNQWFUCEES-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-25-24(28)22(16-9-5-4-6-10-16)27-20-12-8-7-11-19(20)26-23(27)18-14-13-17(29-2)15-21(18)30-3/h7-8,11-16,22H,4-6,9-10H2,1-3H3,(H,25,28)/t22-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 407.51 g/mol, XLogP of 4.59, 6 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-methylacetamide is sourced from PubChem (CID 126962423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).