4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol

C20H16N2O3S — CID 135870301

IUPAC4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol
SMILESCS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N2O3S/c1-26(24,25)17-10-11-18-19(12-17)22-20(21-18)15-4-2-13(3-5-15)14-6-8-16(23)9-7-14/h2-12,23H,1H3,(H,21,22)
InChIKeyFMHBOXDGWUJYGP-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.01
Rot. Bonds3

About 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol

4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol (PubChem CID 135870301) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol
PubChem CID135870301
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol
SMILESCS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N2O3S/c1-26(24,25)17-10-11-18-19(12-17)22-20(21-18)15-4-2-13(3-5-15)14-6-8-16(23)9-7-14/h2-12,23H,1H3,(H,21,22)
InChIKeyFMHBOXDGWUJYGP-UHFFFAOYSA-N
XLogP4.01
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol?
The IUPAC name of 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol (CID 135870301) is 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol.
What is the SMILES notation for 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol?
The canonical SMILES for 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol is CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c2c1.
What is the InChIKey of 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol?
The InChIKey is FMHBOXDGWUJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-26(24,25)17-10-11-18-19(12-17)22-20(21-18)15-4-2-13(3-5-15)14-6-8-16(23)9-7-14/h2-12,23H,1H3,(H,21,22).
What are the key properties of 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol?
4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol has a molecular weight of 364.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenyl]phenol is sourced from PubChem (CID 135870301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).