[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C20H21FN4OS — CID 120877230

IUPAC[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1sc(C(=O)N2CCNCC2c2nccn2C)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4OS/c1-13-16(14-3-5-15(21)6-4-14)11-18(27-13)20(26)25-10-7-22-12-17(25)19-23-8-9-24(19)2/h3-6,8-9,11,17,22H,7,10,12H2,1-2H3
InChIKeyLPZHGPXITBUQOU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.38
Rot. Bonds3

About [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120877230) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120877230
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1sc(C(=O)N2CCNCC2c2nccn2C)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4OS/c1-13-16(14-3-5-15(21)6-4-14)11-18(27-13)20(26)25-10-7-22-12-17(25)19-23-8-9-24(19)2/h3-6,8-9,11,17,22H,7,10,12H2,1-2H3
InChIKeyLPZHGPXITBUQOU-UHFFFAOYSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880626
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880625
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120878191
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879462
(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
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879630
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879142

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120877230) is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1sc(C(=O)N2CCNCC2c2nccn2C)cc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LPZHGPXITBUQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-13-16(14-3-5-15(21)6-4-14)11-18(27-13)20(26)25-10-7-22-12-17(25)19-23-8-9-24(19)2/h3-6,8-9,11,17,22H,7,10,12H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120877230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).