N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide

C24H35N3O — CID 129276832

IUPACN-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C24H35N3O/c1-2-26(20-13-7-4-8-14-20)23(28)17-18-27-22-16-10-9-15-21(22)25-24(27)19-11-5-3-6-12-19/h9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3
InChIKeyQMJATTJNLYWARY-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.66
Rot. Bonds6

About N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide

N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide (PubChem CID 129276832) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide
PubChem CID129276832
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C24H35N3O/c1-2-26(20-13-7-4-8-14-20)23(28)17-18-27-22-16-10-9-15-21(22)25-24(27)19-11-5-3-6-12-19/h9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3
InChIKeyQMJATTJNLYWARY-UHFFFAOYSA-N
XLogP5.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-Benzyl-2-methylbenzimidazole
CID 759305
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
PF-06284674
CID 71624854
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(N-methylacetamido)benzimidazole
CID 492673
1,3-Dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
CID 142740595
1-(4-Methylbenzyl)-2-(4-methylphenyl)-1h-benzimidazole
CID 15552557
N-[(1S)-3-[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11503459
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide?
The IUPAC name of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide (CID 129276832) is N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide is CCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide?
The InChIKey is QMJATTJNLYWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-2-26(20-13-7-4-8-14-20)23(28)17-18-27-22-16-10-9-15-21(22)25-24(27)19-11-5-3-6-12-19/h9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3.
What are the key properties of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide?
N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide has a molecular weight of 381.56 g/mol, XLogP of 5.66, 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-cyclohexylbenzimidazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 129276832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).