2,3-dihydro-1H-benzimidazol-5-ol

C7H8N2O — CID 141046300

IUPAC2,3-dihydro-1H-benzimidazol-5-ol
SMILESOc1ccc2c(c1)NCN2
InChIInChI=1S/C7H8N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-3,8-10H,4H2
InChIKeyZHTFZKONIKBTKZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.19
Rot. Bonds

About 2,3-dihydro-1H-benzimidazol-5-ol

2,3-dihydro-1H-benzimidazol-5-ol (PubChem CID 141046300) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name2,3-dihydro-1H-benzimidazol-5-ol
PubChem CID141046300
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2,3-dihydro-1H-benzimidazol-5-ol
SMILESOc1ccc2c(c1)NCN2
InChIInChI=1S/C7H8N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-3,8-10H,4H2
InChIKeyZHTFZKONIKBTKZ-UHFFFAOYSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzimidazol-5-ol?
The IUPAC name of 2,3-dihydro-1H-benzimidazol-5-ol (CID 141046300) is 2,3-dihydro-1H-benzimidazol-5-ol.
What is the SMILES notation for 2,3-dihydro-1H-benzimidazol-5-ol?
The canonical SMILES for 2,3-dihydro-1H-benzimidazol-5-ol is Oc1ccc2c(c1)NCN2.
What is the InChIKey of 2,3-dihydro-1H-benzimidazol-5-ol?
The InChIKey is ZHTFZKONIKBTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-3,8-10H,4H2.
What are the key properties of 2,3-dihydro-1H-benzimidazol-5-ol?
2,3-dihydro-1H-benzimidazol-5-ol has a molecular weight of 136.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzimidazol-5-ol is sourced from PubChem (CID 141046300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).