4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one

C19H26N4O3S — CID 42098185

IUPAC4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one
SMILESCC(C)Cn1c(CN2CCN(c3ccccc3)C(=O)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H26N4O3S/c1-15(2)12-23-17(11-20-19(23)27(3,25)26)13-21-9-10-22(18(24)14-21)16-7-5-4-6-8-16/h4-8,11,15H,9-10,12-14H2,1-3H3
InChIKeyVUJWVGSDIUUNTE-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.79
Rot. Bonds6

About 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one

4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one (PubChem CID 42098185) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one
PubChem CID42098185
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one
SMILESCC(C)Cn1c(CN2CCN(c3ccccc3)C(=O)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H26N4O3S/c1-15(2)12-23-17(11-20-19(23)27(3,25)26)13-21-9-10-22(18(24)14-21)16-7-5-4-6-8-16/h4-8,11,15H,9-10,12-14H2,1-3H3
InChIKeyVUJWVGSDIUUNTE-UHFFFAOYSA-N
XLogP1.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-2-one
CID 42514944
2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
CID 28957757
4-[1-[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine
CID 45187025
1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 42454774
(3R)-1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-3-methylpiperidine
CID 42098539
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
CID 25285275
4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
CID 131946303
(3S)-1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 29213485
1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
CID 70704734
1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
CID 69235175
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
[1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45250713

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one (CID 42098185) is 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one is CC(C)Cn1c(CN2CCN(c3ccccc3)C(=O)C2)cnc1S(C)(=O)=O.
What is the InChIKey of 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one?
The InChIKey is VUJWVGSDIUUNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15(2)12-23-17(11-20-19(23)27(3,25)26)13-21-9-10-22(18(24)14-21)16-7-5-4-6-8-16/h4-8,11,15H,9-10,12-14H2,1-3H3.
What are the key properties of 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one?
4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one has a molecular weight of 390.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 42098185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).