3-hydroxy-7-methyl-1H-benzimidazol-2-one

C8H8N2O2 — CID 12501973

IUPAC3-hydroxy-7-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2c1[nH]c(=O)n2O
InChIInChI=1S/C8H8N2O2/c1-5-3-2-4-6-7(5)9-8(11)10(6)12/h2-4,12H,1H3,(H,9,11)
InChIKeyVNDSIERCDSIXQS-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.88
Rot. Bonds

About 3-hydroxy-7-methyl-1H-benzimidazol-2-one

3-hydroxy-7-methyl-1H-benzimidazol-2-one (PubChem CID 12501973) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-hydroxy-7-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-hydroxy-7-methyl-1H-benzimidazol-2-one
PubChem CID12501973
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-hydroxy-7-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2c1[nH]c(=O)n2O
InChIInChI=1S/C8H8N2O2/c1-5-3-2-4-6-7(5)9-8(11)10(6)12/h2-4,12H,1H3,(H,9,11)
InChIKeyVNDSIERCDSIXQS-UHFFFAOYSA-N
XLogP0.88
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-hydroxy-7-methyl-1H-benzimidazol-2-one (CID 12501973) is 3-hydroxy-7-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-hydroxy-7-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-hydroxy-7-methyl-1H-benzimidazol-2-one is Cc1cccc2c1[nH]c(=O)n2O.
What is the InChIKey of 3-hydroxy-7-methyl-1H-benzimidazol-2-one?
The InChIKey is VNDSIERCDSIXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-3-2-4-6-7(5)9-8(11)10(6)12/h2-4,12H,1H3,(H,9,11).
What are the key properties of 3-hydroxy-7-methyl-1H-benzimidazol-2-one?
3-hydroxy-7-methyl-1H-benzimidazol-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 12501973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).