7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde

C19H20ClN3O2 — CID 144837673

IUPAC7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCCCCCn1c(C)c(C=O)n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H20ClN3O2/c1-3-4-5-10-22-13(2)17(12-24)23-18(25)11-16(21-19(22)23)14-6-8-15(20)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyUVEMNTMEDVEUDF-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.13
Rot. Bonds6

About 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde

7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 144837673) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID144837673
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCCCCCn1c(C)c(C=O)n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H20ClN3O2/c1-3-4-5-10-22-13(2)17(12-24)23-18(25)11-16(21-19(22)23)14-6-8-15(20)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyUVEMNTMEDVEUDF-UHFFFAOYSA-N
XLogP4.13
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 144837673) is 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde is CCCCCn1c(C)c(C=O)n2c(=O)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is UVEMNTMEDVEUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-3-4-5-10-22-13(2)17(12-24)23-18(25)11-16(21-19(22)23)14-6-8-15(20)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde?
7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 357.84 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-5-oxo-1-pentylimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 144837673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).