4-(benzimidazol-1-yl)benzaldehyde

C14H10N2O — CID 737733

IUPAC4-(benzimidazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C14H10N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-10H
InChIKeyRAYKWSXEKZURTM-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.84
Rot. Bonds2

About 4-(benzimidazol-1-yl)benzaldehyde

4-(benzimidazol-1-yl)benzaldehyde (PubChem CID 737733) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)benzaldehyde
PubChem CID737733
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-(benzimidazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C14H10N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-10H
InChIKeyRAYKWSXEKZURTM-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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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
N-(1-methylbenzimidazol-2-yl)benzamide
CID 780674
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
Takinib
CID 37750349
4-(1H-imidazol-1-yl)benzaldehyde
CID 736530
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
1-Phenylbenzimidazole deriv. 72
CID 5328471
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
6-(Benzimidazol-1-yl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 25217064
(S)-1,3''-bipyrrolidin-1''-yl(4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 46230602
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole-4-carbaldehyde
CID 492682
(1-methyl-1H-benzimidazol-2-yl)(phenyl)methanone
CID 677925

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)benzaldehyde?
The IUPAC name of 4-(benzimidazol-1-yl)benzaldehyde (CID 737733) is 4-(benzimidazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(benzimidazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(benzimidazol-1-yl)benzaldehyde is O=Cc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)benzaldehyde?
The InChIKey is RAYKWSXEKZURTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-10H.
What are the key properties of 4-(benzimidazol-1-yl)benzaldehyde?
4-(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 4-(benzimidazol-1-yl)benzaldehyde is sourced from PubChem (CID 737733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).