2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide

C24H29N3O2 — CID 68697089

IUPAC2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide
SMILESCCCCC(C(=O)NCCC)n1c(-c2ccc(C(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C24H29N3O2/c1-4-6-10-22(24(29)25-16-5-2)27-21-11-8-7-9-20(21)26-23(27)19-14-12-18(13-15-19)17(3)28/h7-9,11-15,22H,4-6,10,16H2,1-3H3,(H,25,29)
InChIKeyLZBKYHABYLQVRS-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.16
Rot. Bonds9

About 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide

2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide (PubChem CID 68697089) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide.

Molecular Properties

Compound Name2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide
PubChem CID68697089
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide
SMILESCCCCC(C(=O)NCCC)n1c(-c2ccc(C(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C24H29N3O2/c1-4-6-10-22(24(29)25-16-5-2)27-21-11-8-7-9-20(21)26-23(27)19-14-12-18(13-15-19)17(3)28/h7-9,11-15,22H,4-6,10,16H2,1-3H3,(H,25,29)
InChIKeyLZBKYHABYLQVRS-UHFFFAOYSA-N
XLogP5.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
CID 177424273
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
(1-carbamoylcyclohexyl) 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-4-methylpentanoate
CID 90785787
2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
CID 135844964
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
4-[1-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]benzimidazol-2-yl]benzoic acid
CID 141193431
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
CID 53383103
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
2-[2-(4-nitrophenyl)benzimidazol-1-yl]butanamide
CID 123439643
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
2-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 101112971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide?
The IUPAC name of 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide (CID 68697089) is 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide.
What is the SMILES notation for 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide?
The canonical SMILES for 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide is CCCCC(C(=O)NCCC)n1c(-c2ccc(C(C)=O)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide?
The InChIKey is LZBKYHABYLQVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-6-10-22(24(29)25-16-5-2)27-21-11-8-7-9-20(21)26-23(27)19-14-12-18(13-15-19)17(3)28/h7-9,11-15,22H,4-6,10,16H2,1-3H3,(H,25,29).
What are the key properties of 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide?
2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide has a molecular weight of 391.52 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide is sourced from PubChem (CID 68697089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).