1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol

C25H24N2O3S — CID 101226095

IUPAC1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol
SMILESCC(O)(Cn1cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O3S/c1-25(28,22-15-9-4-10-16-22)19-27-17-23(21-13-7-3-8-14-21)26-24(27)31(29,30)18-20-11-5-2-6-12-20/h2-17,28H,18-19H2,1H3
InChIKeyPFQFXLJXSBDSDZ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.43
Rot. Bonds7

About 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol

1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol (PubChem CID 101226095) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol
PubChem CID101226095
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol
SMILESCC(O)(Cn1cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O3S/c1-25(28,22-15-9-4-10-16-22)19-27-17-23(21-13-7-3-8-14-21)26-24(27)31(29,30)18-20-11-5-2-6-12-20/h2-17,28H,18-19H2,1H3
InChIKeyPFQFXLJXSBDSDZ-UHFFFAOYSA-N
XLogP4.43
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol (CID 101226095) is 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol is CC(O)(Cn1cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol?
The InChIKey is PFQFXLJXSBDSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-25(28,22-15-9-4-10-16-22)19-27-17-23(21-13-7-3-8-14-21)26-24(27)31(29,30)18-20-11-5-2-6-12-20/h2-17,28H,18-19H2,1H3.
What are the key properties of 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol?
1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol has a molecular weight of 432.55 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfonyl-4-phenylimidazol-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 101226095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).