(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone

C15H18N4O3S — CID 51252246

IUPAC(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)18-9-7-17(8-10-18)15(20)14-11-16-12-19(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyWDIUOOMRPTWRRL-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.59
Rot. Bonds3

About (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone

(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone (PubChem CID 51252246) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
PubChem CID51252246
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)18-9-7-17(8-10-18)15(20)14-11-16-12-19(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyWDIUOOMRPTWRRL-UHFFFAOYSA-N
XLogP0.59
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695532
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014592
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252296
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25486840

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone (CID 51252246) is (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The InChIKey is WDIUOOMRPTWRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-23(21,22)18-9-7-17(8-10-18)15(20)14-11-16-12-19(14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone has a molecular weight of 334.40 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 51252246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).