3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol

C20H16N2O2 — CID 888730

IUPAC3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2c(-c3cccc(O)c3)nc3ccccc32)c1
InChIInChI=1S/C20H16N2O2/c23-16-7-3-5-14(11-16)13-22-19-10-2-1-9-18(19)21-20(22)15-6-4-8-17(24)12-15/h1-12,23-24H,13H2
InChIKeyMASQLINNHLINPX-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.16
Rot. Bonds3

About 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol

3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol (PubChem CID 888730) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
PubChem CID888730
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2c(-c3cccc(O)c3)nc3ccccc32)c1
InChIInChI=1S/C20H16N2O2/c23-16-7-3-5-14(11-16)13-22-19-10-2-1-9-18(19)21-20(22)15-6-4-8-17(24)12-15/h1-12,23-24H,13H2
InChIKeyMASQLINNHLINPX-UHFFFAOYSA-N
XLogP4.16
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol (CID 888730) is 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol is Oc1cccc(Cn2c(-c3cccc(O)c3)nc3ccccc32)c1.
What is the InChIKey of 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The InChIKey is MASQLINNHLINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-16-7-3-5-14(11-16)13-22-19-10-2-1-9-18(19)21-20(22)15-6-4-8-17(24)12-15/h1-12,23-24H,13H2.
What are the key properties of 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 888730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).