2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol

C22H20N2O3S — CID 17471163

IUPAC2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
SMILESO=S(=O)(Cc1nc2ccccc2n1CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O3S/c25-21(17-9-3-1-4-10-17)15-24-20-14-8-7-13-19(20)23-22(24)16-28(26,27)18-11-5-2-6-12-18/h1-14,21,25H,15-16H2
InChIKeyHPBCIOZNAOYDKG-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.74
Rot. Bonds6

About 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol

2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol (PubChem CID 17471163) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
PubChem CID17471163
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
SMILESO=S(=O)(Cc1nc2ccccc2n1CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O3S/c25-21(17-9-3-1-4-10-17)15-24-20-14-8-7-13-19(20)23-22(24)16-28(26,27)18-11-5-2-6-12-18/h1-14,21,25H,15-16H2
InChIKeyHPBCIOZNAOYDKG-UHFFFAOYSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol (CID 17471163) is 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol is O=S(=O)(Cc1nc2ccccc2n1CC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol?
The InChIKey is HPBCIOZNAOYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-21(17-9-3-1-4-10-17)15-24-20-14-8-7-13-19(20)23-22(24)16-28(26,27)18-11-5-2-6-12-18/h1-14,21,25H,15-16H2.
What are the key properties of 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol?
2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol has a molecular weight of 392.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 17471163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).