N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

C26H33N3O — CID 16968280

IUPACN-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(Cn2c(C(C)NC(=O)C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H33N3O/c1-18(2)21-15-13-20(14-16-21)17-29-24-12-8-7-11-23(24)28-25(29)19(3)27-26(30)22-9-5-4-6-10-22/h7-8,11-16,18-19,22H,4-6,9-10,17H2,1-3H3,(H,27,30)
InChIKeyLFGWENFGNQPIHH-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.97
Rot. Bonds6

About N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 16968280) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID16968280
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(Cn2c(C(C)NC(=O)C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H33N3O/c1-18(2)21-15-13-20(14-16-21)17-29-24-12-8-7-11-23(24)28-25(29)19(3)27-26(30)22-9-5-4-6-10-22/h7-8,11-16,18-19,22H,4-6,9-10,17H2,1-3H3,(H,27,30)
InChIKeyLFGWENFGNQPIHH-UHFFFAOYSA-N
XLogP5.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968279
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968304
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968299
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969701

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 16968280) is N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is CC(C)c1ccc(Cn2c(C(C)NC(=O)C3CCCCC3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is LFGWENFGNQPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-18(2)21-15-13-20(14-16-21)17-29-24-12-8-7-11-23(24)28-25(29)19(3)27-26(30)22-9-5-4-6-10-22/h7-8,11-16,18-19,22H,4-6,9-10,17H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 403.57 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).