(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C16H19FN4O — CID 120879020

IUPAC(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2nccn2C)c(F)c1
InChIInChI=1S/C16H19FN4O/c1-11-3-4-12(13(17)9-11)16(22)21-8-5-18-10-14(21)15-19-6-7-20(15)2/h3-4,6-7,9,14,18H,5,8,10H2,1-2H3
InChIKeyRZHJXLHCZFYLJC-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.65
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120879020) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120879020
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2nccn2C)c(F)c1
InChIInChI=1S/C16H19FN4O/c1-11-3-4-12(13(17)9-11)16(22)21-8-5-18-10-14(21)15-19-6-7-20(15)2/h3-4,6-7,9,14,18H,5,8,10H2,1-2H3
InChIKeyRZHJXLHCZFYLJC-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone 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

(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(2-fluoro-4,5-dimethoxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879795
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
CID 120877926
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878813
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878370
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120880659
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120880759
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120879020) is (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCNCC2c2nccn2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is RZHJXLHCZFYLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-3-4-12(13(17)9-11)16(22)21-8-5-18-10-14(21)15-19-6-7-20(15)2/h3-4,6-7,9,14,18H,5,8,10H2,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120879020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).