2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one

C15H13N3O2 — CID 135566514

IUPAC2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCc1cc(=O)[nH]c2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19)
InChIKeyVHONGMGMJIQAAN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.82
Rot. Bonds3

About 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one

2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 135566514) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID135566514
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCc1cc(=O)[nH]c2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19)
InChIKeyVHONGMGMJIQAAN-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one (CID 135566514) is 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one is CCc1cc(=O)[nH]c2nc(C(=O)c3ccccc3)cn12.
What is the InChIKey of 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is VHONGMGMJIQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19).
What are the key properties of 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one?
2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 267.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-ethyl-8H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 135566514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).