N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide

C25H31N3O — CID 16967207

IUPACN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)cc1
InChIInChI=1S/C25H31N3O/c1-18-12-14-21(15-13-18)25(29)26-19(2)24-27-22-10-6-7-11-23(22)28(24)17-16-20-8-4-3-5-9-20/h6-7,10-15,19-20H,3-5,8-9,16-17H2,1-2H3,(H,26,29)
InChIKeyKRAOGPFGKZGOKI-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.81
Rot. Bonds6

About N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 16967207) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
PubChem CID16967207
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)cc1
InChIInChI=1S/C25H31N3O/c1-18-12-14-21(15-13-18)25(29)26-19(2)24-27-22-10-6-7-11-23(22)28(24)17-16-20-8-4-3-5-9-20/h6-7,10-15,19-20H,3-5,8-9,16-17H2,1-2H3,(H,26,29)
InChIKeyKRAOGPFGKZGOKI-UHFFFAOYSA-N
XLogP5.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009816
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 25339903
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972075
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967216
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 16967207) is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)cc1.
What is the InChIKey of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The InChIKey is KRAOGPFGKZGOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-18-12-14-21(15-13-18)25(29)26-19(2)24-27-22-10-6-7-11-23(22)28(24)17-16-20-8-4-3-5-9-20/h6-7,10-15,19-20H,3-5,8-9,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 389.54 g/mol, XLogP of 5.81, 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]-4-methylbenzamide is sourced from PubChem (CID 16967207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).