3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

C19H13ClFN3O2 — CID 66551373

IUPAC3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)c(Cl)n12
InChIInChI=1S/C19H13ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-11H,12H2
InChIKeyWLTOANPSAPMNSM-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.86
Rot. Bonds4

About 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 66551373) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID66551373
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)c(Cl)n12
InChIInChI=1S/C19H13ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-11H,12H2
InChIKeyWLTOANPSAPMNSM-UHFFFAOYSA-N
XLogP3.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (CID 66551373) is 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)c(Cl)n12.
What is the InChIKey of 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is WLTOANPSAPMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-11H,12H2.
What are the key properties of 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 369.78 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 66551373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).