2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide

C12H13FN4O — CID 55048330

IUPAC2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESNCc1nccn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c13-9-1-3-10(4-2-9)16-12(18)8-17-6-5-15-11(17)7-14/h1-6H,7-8,14H2,(H,16,18)
InChIKeyPZNXGTGJZHMPSU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.12
Rot. Bonds4

About 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide

2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 55048330) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID55048330
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESNCc1nccn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN4O/c13-9-1-3-10(4-2-9)16-12(18)8-17-6-5-15-11(17)7-14/h1-6H,7-8,14H2,(H,16,18)
InChIKeyPZNXGTGJZHMPSU-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide 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

2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 62223733
N-(4-fluorophenyl)-2-(2-oxopyrazin-1-yl)acetamide
CID 112753379
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-[2-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62221227
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
N-(4-fluorophenyl)-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399525
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
N-(4-fluorophenyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
CID 63926062
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 62223411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide (CID 55048330) is 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide is NCc1nccn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PZNXGTGJZHMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-1-3-10(4-2-9)16-12(18)8-17-6-5-15-11(17)7-14/h1-6H,7-8,14H2,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 248.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55048330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).