1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

C17H17ClN4O2 — CID 57391363

IUPAC1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3ccccc3Cl)ccn12
InChIInChI=1S/C17H17ClN4O2/c18-14-4-2-1-3-13(14)12-21-5-6-22-16(23)11-15(19-17(21)22)20-7-9-24-10-8-20/h1-6,11H,7-10,12H2
InChIKeyXFWSJPCSZIXSOF-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.03
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57391363) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57391363
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3ccccc3Cl)ccn12
InChIInChI=1S/C17H17ClN4O2/c18-14-4-2-1-3-13(14)12-21-5-6-22-16(23)11-15(19-17(21)22)20-7-9-24-10-8-20/h1-6,11H,7-10,12H2
InChIKeyXFWSJPCSZIXSOF-UHFFFAOYSA-N
XLogP2.03
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57391363) is 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCOCC2)nc2n(Cc3ccccc3Cl)ccn12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is XFWSJPCSZIXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-14-4-2-1-3-13(14)12-21-5-6-22-16(23)11-15(19-17(21)22)20-7-9-24-10-8-20/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 344.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57391363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).