5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde

C17H12ClFN2O — CID 15088509

IUPAC5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c18-16-15(11-22)21(10-13-8-4-5-9-14(13)19)17(20-16)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyAXOQULMFLPZVSS-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.20
Rot. Bonds4

About 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde

5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde (PubChem CID 15088509) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde
PubChem CID15088509
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1F
InChIInChI=1S/C17H12ClFN2O/c18-16-15(11-22)21(10-13-8-4-5-9-14(13)19)17(20-16)12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyAXOQULMFLPZVSS-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.20
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 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde (CID 15088509) is 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde is O=Cc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde?
The InChIKey is AXOQULMFLPZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-16-15(11-22)21(10-13-8-4-5-9-14(13)19)17(20-16)12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde?
5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde has a molecular weight of 314.75 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-fluorophenyl)methyl]-2-phenylimidazole-4-carbaldehyde is sourced from PubChem (CID 15088509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).