2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde

C11H9ClN2O — CID 83889770

IUPAC2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde
SMILESO=CCc1cncn1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2O/c12-9-2-1-3-10(6-9)14-8-13-7-11(14)4-5-15/h1-3,5-8H,4H2
InChIKeyYSVSBSWBMXAZTO-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.27
Rot. Bonds3

About 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde

2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde (PubChem CID 83889770) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde
PubChem CID83889770
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde
SMILESO=CCc1cncn1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2O/c12-9-2-1-3-10(6-9)14-8-13-7-11(14)4-5-15/h1-3,5-8H,4H2
InChIKeyYSVSBSWBMXAZTO-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.27
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 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde?
The IUPAC name of 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde (CID 83889770) is 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde is O=CCc1cncn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde?
The InChIKey is YSVSBSWBMXAZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-2-1-3-10(6-9)14-8-13-7-11(14)4-5-15/h1-3,5-8H,4H2.
What are the key properties of 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde?
2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde has a molecular weight of 220.66 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde is sourced from PubChem (CID 83889770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).