3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide

C18H19N3O — CID 25349690

IUPAC3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-13-7-8-14(2)16(11-13)20-18(22)9-10-21-12-19-15-5-3-4-6-17(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKeyYQCFAKUHTXZOBH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.68
Rot. Bonds4

About 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide

3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 25349690) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID25349690
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-13-7-8-14(2)16(11-13)20-18(22)9-10-21-12-19-15-5-3-4-6-17(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKeyYQCFAKUHTXZOBH-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(2,5-dimethylphenyl)thiourea
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3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
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3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide (CID 25349690) is 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCn2cnc3ccccc32)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is YQCFAKUHTXZOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-7-8-14(2)16(11-13)20-18(22)9-10-21-12-19-15-5-3-4-6-17(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 25349690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).