7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one

C13H11N3O — CID 2763440

IUPAC7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C13H11N3O/c1-9-7-12(17)16-8-11(15-13(16)14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyHPELDCRCZHXSHN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.00
Rot. Bonds1

About 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one

7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 2763440) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID2763440
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C13H11N3O/c1-9-7-12(17)16-8-11(15-13(16)14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyHPELDCRCZHXSHN-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one (CID 2763440) is 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is HPELDCRCZHXSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-7-12(17)16-8-11(15-13(16)14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15).
What are the key properties of 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one?
7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 2763440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).