N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide

C26H41N3O — CID 16988504

IUPACN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C26H41N3O/c1-3-22(4-2)26(30)27-19-12-6-9-17-25-28-23-15-10-11-16-24(23)29(25)20-18-21-13-7-5-8-14-21/h10-11,15-16,21-22H,3-9,12-14,17-20H2,1-2H3,(H,27,30)
InChIKeyGKXWJWQEZXQUKN-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.27
Rot. Bonds12

About N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide

N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide (PubChem CID 16988504) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
PubChem CID16988504
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC NameN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C26H41N3O/c1-3-22(4-2)26(30)27-19-12-6-9-17-25-28-23-15-10-11-16-24(23)29(25)20-18-21-13-7-5-8-14-21/h10-11,15-16,21-22H,3-9,12-14,17-20H2,1-2H3,(H,27,30)
InChIKeyGKXWJWQEZXQUKN-UHFFFAOYSA-N
XLogP6.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988607
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988521
2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988571
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988485
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide?
The IUPAC name of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide (CID 16988504) is N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide.
What is the SMILES notation for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide?
The canonical SMILES for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCCCCc1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide?
The InChIKey is GKXWJWQEZXQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O/c1-3-22(4-2)26(30)27-19-12-6-9-17-25-28-23-15-10-11-16-24(23)29(25)20-18-21-13-7-5-8-14-21/h10-11,15-16,21-22H,3-9,12-14,17-20H2,1-2H3,(H,27,30).
What are the key properties of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide?
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide has a molecular weight of 411.63 g/mol, XLogP of 6.27, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide is sourced from PubChem (CID 16988504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).