N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide

C27H29N3O — CID 177424273

IUPACN-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
SMILESCCCCNC(=O)C(CCc1ccccc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O/c1-2-3-20-28-27(31)25(19-18-21-12-6-4-7-13-21)30-24-17-11-10-16-23(24)29-26(30)22-14-8-5-9-15-22/h4-17,25H,2-3,18-20H2,1H3,(H,28,31)
InChIKeySWJQWINVKBFSSK-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.79
Rot. Bonds9

About N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide

N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide (PubChem CID 177424273) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
PubChem CID177424273
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC NameN-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
SMILESCCCCNC(=O)C(CCc1ccccc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N3O/c1-2-3-20-28-27(31)25(19-18-21-12-6-4-7-13-21)30-24-17-11-10-16-23(24)29-26(30)22-14-8-5-9-15-22/h4-17,25H,2-3,18-20H2,1H3,(H,28,31)
InChIKeySWJQWINVKBFSSK-UHFFFAOYSA-N
XLogP5.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.79
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

2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
CID 53383103
2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide
CID 68697089
2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
CID 135844964
4-[1-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]benzimidazol-2-yl]benzoic acid
CID 141193431
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
CID 82358989
2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
CID 82162057
2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
CID 53383108
N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]-4-methylsulfanylbutanamide
CID 53382999
N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide
CID 53383368
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide?
The IUPAC name of N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide (CID 177424273) is N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide?
The canonical SMILES for N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide is CCCCNC(=O)C(CCc1ccccc1)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide?
The InChIKey is SWJQWINVKBFSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-2-3-20-28-27(31)25(19-18-21-12-6-4-7-13-21)30-24-17-11-10-16-23(24)29-26(30)22-14-8-5-9-15-22/h4-17,25H,2-3,18-20H2,1H3,(H,28,31).
What are the key properties of N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide?
N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide has a molecular weight of 411.55 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 177424273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).