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

C24H28ClN3O3 — CID 141449861

IUPAC2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)C(Cl)(C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C24H28ClN3O3/c1-26-23(29)24(25,16-9-5-4-6-10-16)28-20-12-8-7-11-19(20)27-22(28)18-14-13-17(30-2)15-21(18)31-3/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,26,29)
InChIKeyCGKAFEPRDMGHSJ-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.94
Rot. Bonds6

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

2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 141449861) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID141449861
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)C(Cl)(C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C24H28ClN3O3/c1-26-23(29)24(25,16-9-5-4-6-10-16)28-20-12-8-7-11-19(20)27-22(28)18-14-13-17(30-2)15-21(18)31-3/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,26,29)
InChIKeyCGKAFEPRDMGHSJ-UHFFFAOYSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 126962423
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
CID 175290099
(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
2-[2-(5-chloro-2-fluorophenyl)benzimidazol-1-yl]-3-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,N',2-tricyclohexyl-3-(2-fluoro-5-methoxyphenyl)butanediamide
CID 91481753
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
CID 175290131
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
(1-carbamoylcyclohexyl) 2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-5-phenylpentanoate
CID 175290023
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (CID 141449861) is 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is CNC(=O)C(Cl)(C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21.
What is the InChIKey of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is CGKAFEPRDMGHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-26-23(29)24(25,16-9-5-4-6-10-16)28-20-12-8-7-11-19(20)27-22(28)18-14-13-17(30-2)15-21(18)31-3/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,26,29).
What are the key properties of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 441.96 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 141449861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).