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

C21H24N4O2S — CID 120880626

IUPAC[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCNCC3c3nccn3C)sc2C)cc1
InChIInChI=1S/C21H24N4O2S/c1-14-17(15-4-6-16(27-3)7-5-15)12-19(28-14)21(26)25-11-8-22-13-18(25)20-23-9-10-24(20)2/h4-7,9-10,12,18,22H,8,11,13H2,1-3H3
InChIKeyMZLDTSODAGMNIZ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.25
Rot. Bonds4

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

[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120880626) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120880626
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCNCC3c3nccn3C)sc2C)cc1
InChIInChI=1S/C21H24N4O2S/c1-14-17(15-4-6-16(27-3)7-5-15)12-19(28-14)21(26)25-11-8-22-13-18(25)20-23-9-10-24(20)2/h4-7,9-10,12,18,22H,8,11,13H2,1-3H3
InChIKeyMZLDTSODAGMNIZ-UHFFFAOYSA-N
XLogP3.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880625
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877230
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879142
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
[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
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120880763
[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
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 120878156
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879630

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120880626) is [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCNCC3c3nccn3C)sc2C)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is MZLDTSODAGMNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-17(15-4-6-16(27-3)7-5-15)12-19(28-14)21(26)25-11-8-22-13-18(25)20-23-9-10-24(20)2/h4-7,9-10,12,18,22H,8,11,13H2,1-3H3.
What are the key properties of [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 396.52 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120880626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).