4-(1H-benzimidazol-2-yl)-N-butylbenzamide

C18H19N3O — CID 100577263

IUPAC4-(1H-benzimidazol-2-yl)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-2-3-12-19-18(22)14-10-8-13(9-11-14)17-20-15-6-4-5-7-16(15)21-17/h4-11H,2-3,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyNMEHGFLDUIGRBD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds5

About 4-(1H-benzimidazol-2-yl)-N-butylbenzamide

4-(1H-benzimidazol-2-yl)-N-butylbenzamide (PubChem CID 100577263) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-butylbenzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-butylbenzamide
PubChem CID100577263
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(1H-benzimidazol-2-yl)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-2-3-12-19-18(22)14-10-8-13(9-11-14)17-20-15-6-4-5-7-16(15)21-17/h4-11H,2-3,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyNMEHGFLDUIGRBD-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
CID 138649534
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[6-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]hexyl]benzamide
CID 138650082
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
CID 100577552
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-butylbenzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-butylbenzamide (CID 100577263) is 4-(1H-benzimidazol-2-yl)-N-butylbenzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-butylbenzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-butylbenzamide is CCCCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-butylbenzamide?
The InChIKey is NMEHGFLDUIGRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-12-19-18(22)14-10-8-13(9-11-14)17-20-15-6-4-5-7-16(15)21-17/h4-11H,2-3,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-butylbenzamide?
4-(1H-benzimidazol-2-yl)-N-butylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-butylbenzamide is sourced from PubChem (CID 100577263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).