4-imidazol-1-yl-N-propylbenzamide

C13H15N3O — CID 31533072

IUPAC4-imidazol-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H15N3O/c1-2-7-15-13(17)11-3-5-12(6-4-11)16-9-8-14-10-16/h3-6,8-10H,2,7H2,1H3,(H,15,17)
InChIKeyUMAFZXWKAYSKCN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.01
Rot. Bonds4

About 4-imidazol-1-yl-N-propylbenzamide

4-imidazol-1-yl-N-propylbenzamide (PubChem CID 31533072) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-propylbenzamide
PubChem CID31533072
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-imidazol-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H15N3O/c1-2-7-15-13(17)11-3-5-12(6-4-11)16-9-8-14-10-16/h3-6,8-10H,2,7H2,1H3,(H,15,17)
InChIKeyUMAFZXWKAYSKCN-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-imidazol-1-yl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
CID 29028004
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31533502
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
CID 135544499
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-propylbenzamide?
The IUPAC name of 4-imidazol-1-yl-N-propylbenzamide (CID 31533072) is 4-imidazol-1-yl-N-propylbenzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-propylbenzamide?
The canonical SMILES for 4-imidazol-1-yl-N-propylbenzamide is CCCNC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-propylbenzamide?
The InChIKey is UMAFZXWKAYSKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-7-15-13(17)11-3-5-12(6-4-11)16-9-8-14-10-16/h3-6,8-10H,2,7H2,1H3,(H,15,17).
What are the key properties of 4-imidazol-1-yl-N-propylbenzamide?
4-imidazol-1-yl-N-propylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-propylbenzamide is sourced from PubChem (CID 31533072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).