8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one

C20H16ClN3O — CID 118631145

IUPAC8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1ccccc1
InChIInChI=1S/C20H16ClN3O/c1-14-11-19(25)24-13-18(16-7-9-17(21)10-8-16)22-20(24)23(14)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyZVTAGZNKWZEYEJ-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.17
Rot. Bonds3

About 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one

8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631145) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631145
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1ccccc1
InChIInChI=1S/C20H16ClN3O/c1-14-11-19(25)24-13-18(16-7-9-17(21)10-8-16)22-20(24)23(14)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyZVTAGZNKWZEYEJ-UHFFFAOYSA-N
XLogP4.17
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631145) is 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1ccccc1.
What is the InChIKey of 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is ZVTAGZNKWZEYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-14-11-19(25)24-13-18(16-7-9-17(21)10-8-16)22-20(24)23(14)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3.
What are the key properties of 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 349.82 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).