3-(1-methylbenzimidazol-5-yl)benzaldehyde

C15H12N2O — CID 59474450

IUPAC3-(1-methylbenzimidazol-5-yl)benzaldehyde
SMILESCn1cnc2cc(-c3cccc(C=O)c3)ccc21
InChIInChI=1S/C15H12N2O/c1-17-10-16-14-8-13(5-6-15(14)17)12-4-2-3-11(7-12)9-18/h2-10H,1H3
InChIKeyVKDARDDHRAHOMO-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.05
Rot. Bonds2

About 3-(1-methylbenzimidazol-5-yl)benzaldehyde

3-(1-methylbenzimidazol-5-yl)benzaldehyde (PubChem CID 59474450) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-5-yl)benzaldehyde
PubChem CID59474450
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(1-methylbenzimidazol-5-yl)benzaldehyde
SMILESCn1cnc2cc(-c3cccc(C=O)c3)ccc21
InChIInChI=1S/C15H12N2O/c1-17-10-16-14-8-13(5-6-15(14)17)12-4-2-3-11(7-12)9-18/h2-10H,1H3
InChIKeyVKDARDDHRAHOMO-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.05
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 3-(1-methylbenzimidazol-5-yl)benzaldehyde?
The IUPAC name of 3-(1-methylbenzimidazol-5-yl)benzaldehyde (CID 59474450) is 3-(1-methylbenzimidazol-5-yl)benzaldehyde.
What is the SMILES notation for 3-(1-methylbenzimidazol-5-yl)benzaldehyde?
The canonical SMILES for 3-(1-methylbenzimidazol-5-yl)benzaldehyde is Cn1cnc2cc(-c3cccc(C=O)c3)ccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-5-yl)benzaldehyde?
The InChIKey is VKDARDDHRAHOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-10-16-14-8-13(5-6-15(14)17)12-4-2-3-11(7-12)9-18/h2-10H,1H3.
What are the key properties of 3-(1-methylbenzimidazol-5-yl)benzaldehyde?
3-(1-methylbenzimidazol-5-yl)benzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-5-yl)benzaldehyde is sourced from PubChem (CID 59474450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).