4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol

C15H14N2O3 — CID 135665562

IUPAC4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1O
InChIInChI=1S/C15H14N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h3-8,18H,1-2H3,(H,16,17)
InChIKeyLEEVVCNLICRBQX-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.95
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol

4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol (PubChem CID 135665562) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol
PubChem CID135665562
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1O
InChIInChI=1S/C15H14N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h3-8,18H,1-2H3,(H,16,17)
InChIKeyLEEVVCNLICRBQX-UHFFFAOYSA-N
XLogP2.95
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol (CID 135665562) is 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol is COc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol?
The InChIKey is LEEVVCNLICRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-12-7-9(8-13(20-2)14(12)18)15-16-10-5-3-4-6-11(10)17-15/h3-8,18H,1-2H3,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol?
4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol has a molecular weight of 270.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2,6-dimethoxyphenol is sourced from PubChem (CID 135665562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).