imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone

C13H9N3O — CID 13248811

IUPACimidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cnc2ncccn12
InChIInChI=1S/C13H9N3O/c17-12(10-5-2-1-3-6-10)11-9-15-13-14-7-4-8-16(11)13/h1-9H
InChIKeyKKBNWGNMSRCHMN-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.96
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone

imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone (PubChem CID 13248811) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone
PubChem CID13248811
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cnc2ncccn12
InChIInChI=1S/C13H9N3O/c17-12(10-5-2-1-3-6-10)11-9-15-13-14-7-4-8-16(11)13/h1-9H
InChIKeyKKBNWGNMSRCHMN-UHFFFAOYSA-N
XLogP1.96
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone (CID 13248811) is imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone is O=C(c1ccccc1)c1cnc2ncccn12.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone?
The InChIKey is KKBNWGNMSRCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-12(10-5-2-1-3-6-10)11-9-15-13-14-7-4-8-16(11)13/h1-9H.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone?
imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone has a molecular weight of 223.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl(phenyl)methanone is sourced from PubChem (CID 13248811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).