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

C13H12N2O2 — CID 134822157

IUPAC4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol
SMILESOc1ccc(C2Nc3ccccc3N2)cc1O
InChIInChI=1S/C13H12N2O2/c16-11-6-5-8(7-12(11)17)13-14-9-3-1-2-4-10(9)15-13/h1-7,13-17H
InChIKeyBZJUWRDNZFZSIY-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.63
Rot. Bonds1

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

4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol (PubChem CID 134822157) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol
PubChem CID134822157
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol
SMILESOc1ccc(C2Nc3ccccc3N2)cc1O
InChIInChI=1S/C13H12N2O2/c16-11-6-5-8(7-12(11)17)13-14-9-3-1-2-4-10(9)15-13/h1-7,13-17H
InChIKeyBZJUWRDNZFZSIY-UHFFFAOYSA-N
XLogP2.63
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol (CID 134822157) is 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol is Oc1ccc(C2Nc3ccccc3N2)cc1O.
What is the InChIKey of 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is BZJUWRDNZFZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-11-6-5-8(7-12(11)17)13-14-9-3-1-2-4-10(9)15-13/h1-7,13-17H.
What are the key properties of 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol?
4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol has a molecular weight of 228.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 134822157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).