N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide

C25H37N3O — CID 170097444

IUPACN-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(C2CCCCC2)nc2c(C)cccc21)C1CCCCC1
InChIInChI=1S/C25H37N3O/c1-3-27(21-14-8-5-9-15-21)23(29)17-18-28-22-16-10-11-19(2)24(22)26-25(28)20-12-6-4-7-13-20/h10-11,16,20-21H,3-9,12-15,17-18H2,1-2H3
InChIKeyWGBMLLPZYNMLKD-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.96
Rot. Bonds6

About N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide

N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide (PubChem CID 170097444) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide
PubChem CID170097444
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC NameN-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(C2CCCCC2)nc2c(C)cccc21)C1CCCCC1
InChIInChI=1S/C25H37N3O/c1-3-27(21-14-8-5-9-15-21)23(29)17-18-28-22-16-10-11-19(2)24(22)26-25(28)20-12-6-4-7-13-20/h10-11,16,20-21H,3-9,12-15,17-18H2,1-2H3
InChIKeyWGBMLLPZYNMLKD-UHFFFAOYSA-N
XLogP5.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclohexyl-3-(2-cyclohexyl-6-methylbenzimidazol-1-yl)-N-ethylpropanamide
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N-cyclohexyl-N-ethyl-3-[2-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-1-yl]propanamide
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ethyl 3-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-5-methylbenzimidazol-2-yl]piperidine-1-carboxylate
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CID 155534068
methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
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tert-butyl 3-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-5-fluorobenzimidazol-2-yl]piperidine-1-carboxylate
CID 129276347
tert-butyl 3-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-5-fluorobenzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 129276865
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
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3-[3-(2-cyclohexylbenzimidazol-1-yl)propanoyl-(2-phenylethyl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide?
The IUPAC name of N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide (CID 170097444) is N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide is CCN(C(=O)CCn1c(C2CCCCC2)nc2c(C)cccc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide?
The InChIKey is WGBMLLPZYNMLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-3-27(21-14-8-5-9-15-21)23(29)17-18-28-22-16-10-11-19(2)24(22)26-25(28)20-12-6-4-7-13-20/h10-11,16,20-21H,3-9,12-15,17-18H2,1-2H3.
What are the key properties of N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide?
N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide has a molecular weight of 395.59 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-cyclohexyl-4-methylbenzimidazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 170097444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).