1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole

C17H24N2O2S — CID 95135192

IUPAC1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCS(C)(=O)=O
InChIInChI=1S/C17H24N2O2S/c1-4-8-14(2)17-16(15-9-6-5-7-10-15)18-13-19(17)11-12-22(3,20)21/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyVDUUJIAZPXNVGA-CQSZACIVSA-N
MW320.46 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole

1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole (PubChem CID 95135192) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
PubChem CID95135192
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole
SMILESCCC[C@@H](C)c1c(-c2ccccc2)ncn1CCS(C)(=O)=O
InChIInChI=1S/C17H24N2O2S/c1-4-8-14(2)17-16(15-9-6-5-7-10-15)18-13-19(17)11-12-22(3,20)21/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyVDUUJIAZPXNVGA-CQSZACIVSA-N
XLogP3.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
The IUPAC name of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole (CID 95135192) is 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole is CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCS(C)(=O)=O.
What is the InChIKey of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
The InChIKey is VDUUJIAZPXNVGA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-8-14(2)17-16(15-9-6-5-7-10-15)18-13-19(17)11-12-22(3,20)21/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole?
1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole has a molecular weight of 320.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-5-[(2R)-pentan-2-yl]-4-phenylimidazole is sourced from PubChem (CID 95135192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).