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

C23H33N3O — CID 129277016

IUPACN-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide
SMILESCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C23H33N3O/c1-25(19-12-6-3-7-13-19)22(27)16-17-26-21-15-9-8-14-20(21)24-23(26)18-10-4-2-5-11-18/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3
InChIKeyFOCURLRNAHEEJD-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.27
Rot. Bonds5

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

N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide (PubChem CID 129277016) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide
PubChem CID129277016
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide
SMILESCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C23H33N3O/c1-25(19-12-6-3-7-13-19)22(27)16-17-26-21-15-9-8-14-20(21)24-23(26)18-10-4-2-5-11-18/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3
InChIKeyFOCURLRNAHEEJD-UHFFFAOYSA-N
XLogP5.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.27
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-methylpropanamide?
The IUPAC name of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide (CID 129277016) is N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide is CN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide?
The InChIKey is FOCURLRNAHEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-25(19-12-6-3-7-13-19)22(27)16-17-26-21-15-9-8-14-20(21)24-23(26)18-10-4-2-5-11-18/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3.
What are the key properties of N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide?
N-cyclohexyl-3-(2-cyclohexylbenzimidazol-1-yl)-N-methylpropanamide has a molecular weight of 367.54 g/mol, XLogP of 5.27, 5 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-methylpropanamide is sourced from PubChem (CID 129277016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).