5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde

C19H12N2O3 — CID 169332261

IUPAC5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(=O)n2cnc3ccccc32)o1
InChIInChI=1S/C19H12N2O3/c22-11-13-9-10-18(24-13)14-5-1-2-6-15(14)19(23)21-12-20-16-7-3-4-8-17(16)21/h1-12H
InChIKeyKGPJSGRYNLWXTM-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.80
Rot. Bonds3

About 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde

5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde (PubChem CID 169332261) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
PubChem CID169332261
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(=O)n2cnc3ccccc32)o1
InChIInChI=1S/C19H12N2O3/c22-11-13-9-10-18(24-13)14-5-1-2-6-15(14)19(23)21-12-20-16-7-3-4-8-17(16)21/h1-12H
InChIKeyKGPJSGRYNLWXTM-UHFFFAOYSA-N
XLogP3.80
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
CID 82344378
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646
benzimidazol-1-yl(1H-indazol-4-yl)methanone
CID 110468713
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 4630017
5-quinazolin-5-ylfuran-2-carbaldehyde
CID 169335692
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
benzimidazol-1-yl(1,3-thiazol-4-yl)methanone
CID 110462180
benzimidazol-1-yl(1H-imidazol-2-yl)methanone
CID 110466447

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde (CID 169332261) is 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2C(=O)n2cnc3ccccc32)o1.
What is the InChIKey of 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde?
The InChIKey is KGPJSGRYNLWXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-11-13-9-10-18(24-13)14-5-1-2-6-15(14)19(23)21-12-20-16-7-3-4-8-17(16)21/h1-12H.
What are the key properties of 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde?
5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde has a molecular weight of 316.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).