2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol

C15H14N2O3 — CID 81432333

IUPAC2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
SMILESCOc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1OC
InChIInChI=1S/C15H14N2O3/c1-19-13-6-3-9(7-14(13)20-2)15-16-11-5-4-10(18)8-12(11)17-15/h3-8,18H,1-2H3,(H,16,17)
InChIKeyMZOJZTRVBZGHDQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.95
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol

2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol (PubChem CID 81432333) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
PubChem CID81432333
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
SMILESCOc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1OC
InChIInChI=1S/C15H14N2O3/c1-19-13-6-3-9(7-14(13)20-2)15-16-11-5-4-10(18)8-12(11)17-15/h3-8,18H,1-2H3,(H,16,17)
InChIKeyMZOJZTRVBZGHDQ-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 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol (CID 81432333) is 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol is COc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol?
The InChIKey is MZOJZTRVBZGHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-13-6-3-9(7-14(13)20-2)15-16-11-5-4-10(18)8-12(11)17-15/h3-8,18H,1-2H3,(H,16,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol?
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol 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 2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).