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

C20H16N2O2 — CID 682797

IUPAC2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
SMILESOc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21
InChIInChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2
InChIKeyAGSGFBQWNNZFBC-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.16
Rot. Bonds3

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

2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol (PubChem CID 682797) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
PubChem CID682797
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
SMILESOc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21
InChIInChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2
InChIKeyAGSGFBQWNNZFBC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol (CID 682797) is 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol is Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The InChIKey is AGSGFBQWNNZFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2.
What are the key properties of 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
2-[[2-(2-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 2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 682797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).