(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone

C16H19FN4O — CID 100816398

IUPAC(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C16H19FN4O/c1-2-19-7-9-20(10-8-19)16(22)15-11-21(12-18-15)14-5-3-13(17)4-6-14/h3-6,11-12H,2,7-10H2,1H3
InChIKeyJXIFHXXGRKPHIW-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.79
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone (PubChem CID 100816398) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
PubChem CID100816398
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C16H19FN4O/c1-2-19-7-9-20(10-8-19)16(22)15-11-21(12-18-15)14-5-3-13(17)4-6-14/h3-6,11-12H,2,7-10H2,1H3
InChIKeyJXIFHXXGRKPHIW-UHFFFAOYSA-N
XLogP1.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-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

[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 100816296
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 100819637
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 100816402
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
(4-ethylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42850996
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone (CID 100816398) is (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone is CCN1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone?
The InChIKey is JXIFHXXGRKPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-19-7-9-20(10-8-19)16(22)15-11-21(12-18-15)14-5-3-13(17)4-6-14/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone is sourced from PubChem (CID 100816398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).