1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

C17H16ClFN4O2 — CID 57396627

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3ccc(F)c(Cl)c3)ccn12
InChIInChI=1S/C17H16ClFN4O2/c18-13-9-12(1-2-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2
InChIKeyBVGKBKHOLCLQFL-UHFFFAOYSA-N
MW362.79 g/mol
LogP2.17
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57396627) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57396627
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(N2CCOCC2)nc2n(Cc3ccc(F)c(Cl)c3)ccn12
InChIInChI=1S/C17H16ClFN4O2/c18-13-9-12(1-2-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2
InChIKeyBVGKBKHOLCLQFL-UHFFFAOYSA-N
XLogP2.17
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57396627) is 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(N2CCOCC2)nc2n(Cc3ccc(F)c(Cl)c3)ccn12.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is BVGKBKHOLCLQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c18-13-9-12(1-2-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 362.79 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57396627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).