1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole

C12H16N2O2S — CID 166978169

IUPAC1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCC(C)c1ccc(S(=O)(=O)N2C=NCC2)cc1
InChIInChI=1S/C12H16N2O2S/c1-10(2)11-3-5-12(6-4-11)17(15,16)14-8-7-13-9-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGBBWYZSESPTAIU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.84
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole

1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 166978169) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID166978169
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCC(C)c1ccc(S(=O)(=O)N2C=NCC2)cc1
InChIInChI=1S/C12H16N2O2S/c1-10(2)11-3-5-12(6-4-11)17(15,16)14-8-7-13-9-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGBBWYZSESPTAIU-UHFFFAOYSA-N
XLogP1.84
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole
CID 165177960
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole (CID 166978169) is 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole is CC(C)c1ccc(S(=O)(=O)N2C=NCC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is GBBWYZSESPTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-10(2)11-3-5-12(6-4-11)17(15,16)14-8-7-13-9-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole?
1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 252.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 166978169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).