2-(benzimidazol-1-yl)benzaldehyde

C14H10N2O — CID 5328434

IUPAC2-(benzimidazol-1-yl)benzaldehyde
SMILESO=Cc1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C14H10N2O/c17-9-11-5-1-3-7-13(11)16-10-15-12-6-2-4-8-14(12)16/h1-10H
InChIKeyUMJJTNDJRJKBES-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.84
Rot. Bonds2

About 2-(benzimidazol-1-yl)benzaldehyde

2-(benzimidazol-1-yl)benzaldehyde (PubChem CID 5328434) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)benzaldehyde
PubChem CID5328434
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-(benzimidazol-1-yl)benzaldehyde
SMILESO=Cc1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C14H10N2O/c17-9-11-5-1-3-7-13(11)16-10-15-12-6-2-4-8-14(12)16/h1-10H
InChIKeyUMJJTNDJRJKBES-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)benzaldehyde?
The IUPAC name of 2-(benzimidazol-1-yl)benzaldehyde (CID 5328434) is 2-(benzimidazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-(benzimidazol-1-yl)benzaldehyde?
The canonical SMILES for 2-(benzimidazol-1-yl)benzaldehyde is O=Cc1ccccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)benzaldehyde?
The InChIKey is UMJJTNDJRJKBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-9-11-5-1-3-7-13(11)16-10-15-12-6-2-4-8-14(12)16/h1-10H.
What are the key properties of 2-(benzimidazol-1-yl)benzaldehyde?
2-(benzimidazol-1-yl)benzaldehyde has a molecular weight of 222.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)benzaldehyde is sourced from PubChem (CID 5328434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).