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

C18H18Cl2N4O3 — CID 57400064

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

1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57400064) has the molecular formula C18H18Cl2N4O3 and a molecular weight of 409.27 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 57400064
• Molecular Formula: C18H18Cl2N4O3
• Molecular Weight: 409.27 g/mol
• Exact Mass: 408.08
• IUPAC Name: 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one
• SMILES: O=c1cc(N2CCOC(CO)C2)nc2n(Cc3cccc(Cl)c3Cl)ccn12
• InChI: InChI=1S/C18H18Cl2N4O3/c19-14-3-1-2-12(17(14)20)9-23-4-5-24-16(26)8-15(21-18(23)24)22-6-7-27-13(10-22)11-25/h1-5,8,13,25H,6-7,9-11H2
• InChIKey: PCCNUJFGAYAVOF-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 72.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.27
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one (CID 57400064) is 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCOC(CO)C2)nc2n(Cc3cccc(Cl)c3Cl)ccn12.

What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is PCCNUJFGAYAVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O3/c19-14-3-1-2-12(17(14)20)9-23-4-5-24-16(26)8-15(21-18(23)24)22-6-7-27-13(10-22)11-25/h1-5,8,13,25H,6-7,9-11H2.

What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one?

1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 409.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,3-dichlorophenyl)methyl]-7-[2-(hydroxymethyl)morpholin-4-yl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57400064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).