1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one

C12H11FN2O — CID 83887995

IUPAC1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one
SMILESCC(=O)Cc1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O/c1-9(16)6-11-7-15(8-14-11)12-4-2-10(13)3-5-12/h2-5,7-8H,6H2,1H3
InChIKeyROZYIZSJBITLOP-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.14
Rot. Bonds3

About 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one

1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one (PubChem CID 83887995) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one
PubChem CID83887995
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one
SMILESCC(=O)Cc1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O/c1-9(16)6-11-7-15(8-14-11)12-4-2-10(13)3-5-12/h2-5,7-8H,6H2,1H3
InChIKeyROZYIZSJBITLOP-UHFFFAOYSA-N
XLogP2.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one 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-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde
CID 83881789
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
CID 82476530
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol
CID 23445034
2-[1-(3,4-dimethylphenyl)imidazol-4-yl]acetic acid
CID 82474315
1-(4-fluorophenyl)imidazole-4-thiol
CID 22067399
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 100816402
1-(1-tert-butylimidazol-4-yl)propan-2-one
CID 83875480
(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
CID 100816398
2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
CID 82485425
1-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 135396946
1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
CID 100816395

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one (CID 83887995) is 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one is CC(=O)Cc1cn(-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one?
The InChIKey is ROZYIZSJBITLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9(16)6-11-7-15(8-14-11)12-4-2-10(13)3-5-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one?
1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one has a molecular weight of 218.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one is sourced from PubChem (CID 83887995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).