3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one

C20H22ClN5O3S — CID 56520844

IUPAC3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one
SMILESCc1cn(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN5O3S/c1-16-14-24(20(27)26(16)18-6-4-17(21)5-7-18)15-23-9-11-25(12-10-23)30(28,29)19-3-2-8-22-13-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyHEEVACQFXHDLGH-UHFFFAOYSA-N
MW447.95 g/mol
LogP1.96
Rot. Bonds5

About 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one

3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one (PubChem CID 56520844) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one
PubChem CID56520844
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC Name3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one
SMILESCc1cn(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN5O3S/c1-16-14-24(20(27)26(16)18-6-4-17(21)5-7-18)15-23-9-11-25(12-10-23)30(28,29)19-3-2-8-22-13-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyHEEVACQFXHDLGH-UHFFFAOYSA-N
XLogP1.96
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
5-(4-fluorophenyl)-3-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-one
CID 55626885
1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 55629803
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
2-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-amine
CID 63340805
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39011334

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one (CID 56520844) is 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one is Cc1cn(CN2CCN(S(=O)(=O)c3cccnc3)CC2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one?
The InChIKey is HEEVACQFXHDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c1-16-14-24(20(27)26(16)18-6-4-17(21)5-7-18)15-23-9-11-25(12-10-23)30(28,29)19-3-2-8-22-13-19/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one?
3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one has a molecular weight of 447.95 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-1-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]imidazol-2-one is sourced from PubChem (CID 56520844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).