3-(benzimidazol-1-yl)propanamide

C10H11N3O — CID 639428

IUPAC3-(benzimidazol-1-yl)propanamide
SMILESNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14)
InChIKeyUTOCMNYFMMLILL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.91
Rot. Bonds3

About 3-(benzimidazol-1-yl)propanamide

3-(benzimidazol-1-yl)propanamide (PubChem CID 639428) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)propanamide
PubChem CID639428
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(benzimidazol-1-yl)propanamide
SMILESNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14)
InChIKeyUTOCMNYFMMLILL-UHFFFAOYSA-N
XLogP0.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)propanamide (CID 639428) is 3-(benzimidazol-1-yl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)propanamide is NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)propanamide?
The InChIKey is UTOCMNYFMMLILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(14)5-6-13-7-12-8-3-1-2-4-9(8)13/h1-4,7H,5-6H2,(H2,11,14).
What are the key properties of 3-(benzimidazol-1-yl)propanamide?
3-(benzimidazol-1-yl)propanamide has a molecular weight of 189.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)propanamide is sourced from PubChem (CID 639428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).