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

C20H16FN3O2 — CID 66551175

IUPAC6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCc1cccc(OCc2cn3c(=O)n(-c4ccc(F)cc4)ccc3n2)c1
InChIInChI=1S/C20H16FN3O2/c1-14-3-2-4-18(11-14)26-13-16-12-24-19(22-16)9-10-23(20(24)25)17-7-5-15(21)6-8-17/h2-12H,13H2,1H3
InChIKeySLBUCFBPKYJQBD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.51
Rot. Bonds4

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

6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 66551175) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID66551175
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCc1cccc(OCc2cn3c(=O)n(-c4ccc(F)cc4)ccc3n2)c1
InChIInChI=1S/C20H16FN3O2/c1-14-3-2-4-18(11-14)26-13-16-12-24-19(22-16)9-10-23(20(24)25)17-7-5-15(21)6-8-17/h2-12H,13H2,1H3
InChIKeySLBUCFBPKYJQBD-UHFFFAOYSA-N
XLogP3.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one (CID 66551175) is 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one is Cc1cccc(OCc2cn3c(=O)n(-c4ccc(F)cc4)ccc3n2)c1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is SLBUCFBPKYJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-14-3-2-4-18(11-14)26-13-16-12-24-19(22-16)9-10-23(20(24)25)17-7-5-15(21)6-8-17/h2-12H,13H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one?
6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 349.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(3-methylphenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 66551175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).