2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

C13H8ClN3O — CID 4715007

IUPAC2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2ncccn12
InChIInChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12-11(8-18)17-7-1-6-15-13(17)16-12/h1-8H
InChIKeyLNUYRKFYGCLLJO-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.86
Rot. Bonds2

About 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 4715007) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID4715007
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2ncccn12
InChIInChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12-11(8-18)17-7-1-6-15-13(17)16-12/h1-8H
InChIKeyLNUYRKFYGCLLJO-UHFFFAOYSA-N
XLogP2.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 4715007) is 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)nc2ncccn12.
What is the InChIKey of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LNUYRKFYGCLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12-11(8-18)17-7-1-6-15-13(17)16-12/h1-8H.
What are the key properties of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 257.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 4715007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).