2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one

C19H20ClN3O2 — CID 118631168

IUPAC2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C(C)C(=O)C(C)C
InChIInChI=1S/C19H20ClN3O2/c1-11(2)18(25)13(4)23-12(3)9-17(24)22-10-16(21-19(22)23)14-5-7-15(20)8-6-14/h5-11,13H,1-4H3
InChIKeyCXRPQIIPGZYXCY-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631168) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID118631168
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C(C)C(=O)C(C)C
InChIInChI=1S/C19H20ClN3O2/c1-11(2)18(25)13(4)23-12(3)9-17(24)22-10-16(21-19(22)23)14-5-7-15(20)8-6-14/h5-11,13H,1-4H3
InChIKeyCXRPQIIPGZYXCY-UHFFFAOYSA-N
XLogP3.91
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one (CID 118631168) is 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C(C)C(=O)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is CXRPQIIPGZYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-11(2)18(25)13(4)23-12(3)9-17(24)22-10-16(21-19(22)23)14-5-7-15(20)8-6-14/h5-11,13H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 357.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).