6-(hydroxymethyl)-1H-benzimidazol-5-ol

C8H8N2O2 — CID 130998540

IUPAC6-(hydroxymethyl)-1H-benzimidazol-5-ol
SMILESOCc1cc2[nH]cnc2cc1O
InChIInChI=1S/C8H8N2O2/c11-3-5-1-6-7(2-8(5)12)10-4-9-6/h1-2,4,11-12H,3H2,(H,9,10)
InChIKeyDULNAWZALLKXEE-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.76
Rot. Bonds1

About 6-(hydroxymethyl)-1H-benzimidazol-5-ol

6-(hydroxymethyl)-1H-benzimidazol-5-ol (PubChem CID 130998540) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-1H-benzimidazol-5-ol
PubChem CID130998540
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-(hydroxymethyl)-1H-benzimidazol-5-ol
SMILESOCc1cc2[nH]cnc2cc1O
InChIInChI=1S/C8H8N2O2/c11-3-5-1-6-7(2-8(5)12)10-4-9-6/h1-2,4,11-12H,3H2,(H,9,10)
InChIKeyDULNAWZALLKXEE-UHFFFAOYSA-N
XLogP0.76
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1H-benzimidazol-5-ol?
The IUPAC name of 6-(hydroxymethyl)-1H-benzimidazol-5-ol (CID 130998540) is 6-(hydroxymethyl)-1H-benzimidazol-5-ol.
What is the SMILES notation for 6-(hydroxymethyl)-1H-benzimidazol-5-ol?
The canonical SMILES for 6-(hydroxymethyl)-1H-benzimidazol-5-ol is OCc1cc2[nH]cnc2cc1O.
What is the InChIKey of 6-(hydroxymethyl)-1H-benzimidazol-5-ol?
The InChIKey is DULNAWZALLKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-3-5-1-6-7(2-8(5)12)10-4-9-6/h1-2,4,11-12H,3H2,(H,9,10).
What are the key properties of 6-(hydroxymethyl)-1H-benzimidazol-5-ol?
6-(hydroxymethyl)-1H-benzimidazol-5-ol has a molecular weight of 164.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1H-benzimidazol-5-ol is sourced from PubChem (CID 130998540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).