7-hydroxy-1H-benzimidazole-4-carbaldehyde

C8H6N2O2 — CID 87374282

IUPAC7-hydroxy-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1ccc(O)c2[nH]cnc12
InChIInChI=1S/C8H6N2O2/c11-3-5-1-2-6(12)8-7(5)9-4-10-8/h1-4,12H,(H,9,10)
InChIKeyGGRAFBSODPLTOT-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.08
Rot. Bonds1

About 7-hydroxy-1H-benzimidazole-4-carbaldehyde

7-hydroxy-1H-benzimidazole-4-carbaldehyde (PubChem CID 87374282) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 7-hydroxy-1H-benzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-1H-benzimidazole-4-carbaldehyde
PubChem CID87374282
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name7-hydroxy-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1ccc(O)c2[nH]cnc12
InChIInChI=1S/C8H6N2O2/c11-3-5-1-2-6(12)8-7(5)9-4-10-8/h1-4,12H,(H,9,10)
InChIKeyGGRAFBSODPLTOT-UHFFFAOYSA-N
XLogP1.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-hydroxy-1H-benzimidazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1H-benzimidazole-4-carbaldehyde?
The IUPAC name of 7-hydroxy-1H-benzimidazole-4-carbaldehyde (CID 87374282) is 7-hydroxy-1H-benzimidazole-4-carbaldehyde.
What is the SMILES notation for 7-hydroxy-1H-benzimidazole-4-carbaldehyde?
The canonical SMILES for 7-hydroxy-1H-benzimidazole-4-carbaldehyde is O=Cc1ccc(O)c2[nH]cnc12.
What is the InChIKey of 7-hydroxy-1H-benzimidazole-4-carbaldehyde?
The InChIKey is GGRAFBSODPLTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-3-5-1-2-6(12)8-7(5)9-4-10-8/h1-4,12H,(H,9,10).
What are the key properties of 7-hydroxy-1H-benzimidazole-4-carbaldehyde?
7-hydroxy-1H-benzimidazole-4-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1H-benzimidazole-4-carbaldehyde is sourced from PubChem (CID 87374282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).