(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol

C23H22N2O3S — CID 126726372

IUPAC(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCS(=O)(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2c1
InChIInChI=1S/C23H22N2O3S/c1-3-29(27,28)19-14-15-20-21(16-19)25(2)22(24-20)23(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,26H,3H2,1-2H3
InChIKeyFDWPDBXFQFQSCU-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.65
Rot. Bonds5

About (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol

(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol (PubChem CID 126726372) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol
PubChem CID126726372
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol
SMILESCCS(=O)(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2c1
InChIInChI=1S/C23H22N2O3S/c1-3-29(27,28)19-14-15-20-21(16-19)25(2)22(24-20)23(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,26H,3H2,1-2H3
InChIKeyFDWPDBXFQFQSCU-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol (CID 126726372) is (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol is CCS(=O)(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2c1.
What is the InChIKey of (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol?
The InChIKey is FDWPDBXFQFQSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-29(27,28)19-14-15-20-21(16-19)25(2)22(24-20)23(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,26H,3H2,1-2H3.
What are the key properties of (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol?
(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol has a molecular weight of 406.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 126726372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).