2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

C16H19FN4O — CID 42111021

IUPAC2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCn1ccnc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4O/c1-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)12-13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3
InChIKeyRCBGIGRGEJEVLL-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 42111021) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID42111021
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCn1ccnc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4O/c1-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)12-13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3
InChIKeyRCBGIGRGEJEVLL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(1H-imidazol-1-yl)propyl]-2-(4-methylphenyl)acetamide
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1-Imidazol-1-yl-4-phenylbutan-2-one;hydrochloride
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CID 53327840
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54581935
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
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2,2-Diphenyl-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 10043307

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 42111021) is 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is Cn1ccnc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is RCBGIGRGEJEVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)12-13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 302.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42111021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).