1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one

C18H18Cl2N4O2 — CID 57398393

IUPAC1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one
SMILESCC1CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1
InChIInChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyJDQCHVPEXLIUAD-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.08
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one

1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57398393) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID57398393
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one
SMILESCC1CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1
InChIInChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyJDQCHVPEXLIUAD-UHFFFAOYSA-N
XLogP3.08
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one (CID 57398393) is 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one is CC1CN(c2cc(=O)n3ccn(Cc4cccc(Cl)c4Cl)c3n2)CCO1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is JDQCHVPEXLIUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one?
1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 393.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-7-(2-methylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57398393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).