2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide

C13H16N4O — CID 54922651

IUPAC2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1ccnc1-c1cccc(N)c1
InChIInChI=1S/C13H16N4O/c1-9(13(18)15-2)17-7-6-16-12(17)10-4-3-5-11(14)8-10/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyHPDLDXJJBREAEZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.44
Rot. Bonds3

About 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide

2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide (PubChem CID 54922651) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
PubChem CID54922651
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1ccnc1-c1cccc(N)c1
InChIInChI=1S/C13H16N4O/c1-9(13(18)15-2)17-7-6-16-12(17)10-4-3-5-11(14)8-10/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyHPDLDXJJBREAEZ-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide (CID 54922651) is 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1ccnc1-c1cccc(N)c1.
What is the InChIKey of 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide?
The InChIKey is HPDLDXJJBREAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(13(18)15-2)17-7-6-16-12(17)10-4-3-5-11(14)8-10/h3-9H,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide?
2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenyl)imidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 54922651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).