4-(1H-benzimidazol-2-yl)benzene-1,3-diol

C13H10N2O2 — CID 5268800

IUPAC4-(1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C13H10N2O2/c16-8-5-6-9(12(17)7-8)13-14-10-3-1-2-4-11(10)15-13/h1-7,16-17H,(H,14,15)
InChIKeyMTDSHRDWHUXPQH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.64
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)benzene-1,3-diol

4-(1H-benzimidazol-2-yl)benzene-1,3-diol (PubChem CID 5268800) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)benzene-1,3-diol
PubChem CID5268800
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-(1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C13H10N2O2/c16-8-5-6-9(12(17)7-8)13-14-10-3-1-2-4-11(10)15-13/h1-7,16-17H,(H,14,15)
InChIKeyMTDSHRDWHUXPQH-UHFFFAOYSA-N
XLogP2.64
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)benzene-1,3-diol (CID 5268800) is 4-(1H-benzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc3ccccc3[nH]2)c(O)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is MTDSHRDWHUXPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-8-5-6-9(12(17)7-8)13-14-10-3-1-2-4-11(10)15-13/h1-7,16-17H,(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)benzene-1,3-diol?
4-(1H-benzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 226.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 5268800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).