3H-benzimidazol-5-ol

C7H6N2O — CID 3082533

IUPAC3H-benzimidazol-5-ol
SMILESOc1ccc2nc[nH]c2c1
InChIInChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
InChIKeyKRKSOBREFNTJJY-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.27
Rot. Bonds

About 3H-benzimidazol-5-ol

3H-benzimidazol-5-ol (PubChem CID 3082533) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 3H-benzimidazol-5-ol.

Molecular Properties

Compound Name3H-benzimidazol-5-ol
PubChem CID3082533
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name3H-benzimidazol-5-ol
SMILESOc1ccc2nc[nH]c2c1
InChIInChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
InChIKeyKRKSOBREFNTJJY-UHFFFAOYSA-N
XLogP1.27
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-ol?
The IUPAC name of 3H-benzimidazol-5-ol (CID 3082533) is 3H-benzimidazol-5-ol.
What is the SMILES notation for 3H-benzimidazol-5-ol?
The canonical SMILES for 3H-benzimidazol-5-ol is Oc1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-ol?
The InChIKey is KRKSOBREFNTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9).
What are the key properties of 3H-benzimidazol-5-ol?
3H-benzimidazol-5-ol has a molecular weight of 134.14 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-ol is sourced from PubChem (CID 3082533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).