2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C14H14N4O — CID 136908251

IUPAC2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)N/C(=N/Cc1ccccc1)C2
InChIInChI=1S/C14H14N4O/c1-10-7-13(19)18-9-12(17-14(18)16-10)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16,17)
InChIKeyGBUGITSMOPSMAY-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.58
Rot. Bonds2

About 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 136908251) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID136908251
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)N/C(=N/Cc1ccccc1)C2
InChIInChI=1S/C14H14N4O/c1-10-7-13(19)18-9-12(17-14(18)16-10)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16,17)
InChIKeyGBUGITSMOPSMAY-UHFFFAOYSA-N
XLogP1.58
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 136908251) is 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)N/C(=N/Cc1ccccc1)C2.
What is the InChIKey of 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is GBUGITSMOPSMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-7-13(19)18-9-12(17-14(18)16-10)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16,17).
What are the key properties of 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 254.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 136908251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).