1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde

C10H6ClFN2O — CID 156500377

IUPAC1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6ClFN2O/c11-8-5-7(1-2-9(8)12)14-4-3-13-10(14)6-15/h1-6H
InChIKeyIBCCPZYDQWOGOU-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde

1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde (PubChem CID 156500377) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde
PubChem CID156500377
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6ClFN2O/c11-8-5-7(1-2-9(8)12)14-4-3-13-10(14)6-15/h1-6H
InChIKeyIBCCPZYDQWOGOU-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.48
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 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde (CID 156500377) is 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde is O=Cc1nccn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde?
The InChIKey is IBCCPZYDQWOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-8-5-7(1-2-9(8)12)14-4-3-13-10(14)6-15/h1-6H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde?
1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde has a molecular weight of 224.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 156500377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).