N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C21H29N3O — CID 16969660

IUPACN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H29N3O/c1-15(22-21(25)17-11-12-17)20-23-18-9-5-6-10-19(18)24(20)14-13-16-7-3-2-4-8-16/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,22,25)
InChIKeyGKKHAORCHVZGGM-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.59
Rot. Bonds6

About N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16969660) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID16969660
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H29N3O/c1-15(22-21(25)17-11-12-17)20-23-18-9-5-6-10-19(18)24(20)14-13-16-7-3-2-4-8-16/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,22,25)
InChIKeyGKKHAORCHVZGGM-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968279
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968299
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968280
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009816
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969673
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972075
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969701
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968304

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16969660) is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is CC(NC(=O)C1CC1)c1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is GKKHAORCHVZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15(22-21(25)17-11-12-17)20-23-18-9-5-6-10-19(18)24(20)14-13-16-7-3-2-4-8-16/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,22,25).
What are the key properties of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).