7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one

C20H18F3N3O3 — CID 123688256

IUPAC7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESCC1CC(F)=CC=C1Oc1c(F)cc(COc2cc3n(c(=O)n2)CCN3)cc1F
InChIInChI=1S/C20H18F3N3O3/c1-11-6-13(21)2-3-16(11)29-19-14(22)7-12(8-15(19)23)10-28-18-9-17-24-4-5-26(17)20(27)25-18/h2-3,7-9,11,24H,4-6,10H2,1H3
InChIKeyDAUPMCCVXRFTGM-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.68
Rot. Bonds5

About 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one

7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 123688256) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID123688256
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESCC1CC(F)=CC=C1Oc1c(F)cc(COc2cc3n(c(=O)n2)CCN3)cc1F
InChIInChI=1S/C20H18F3N3O3/c1-11-6-13(21)2-3-16(11)29-19-14(22)7-12(8-15(19)23)10-28-18-9-17-24-4-5-26(17)20(27)25-18/h2-3,7-9,11,24H,4-6,10H2,1H3
InChIKeyDAUPMCCVXRFTGM-UHFFFAOYSA-N
XLogP3.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (CID 123688256) is 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is CC1CC(F)=CC=C1Oc1c(F)cc(COc2cc3n(c(=O)n2)CCN3)cc1F.
What is the InChIKey of 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is DAUPMCCVXRFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-11-6-13(21)2-3-16(11)29-19-14(22)7-12(8-15(19)23)10-28-18-9-17-24-4-5-26(17)20(27)25-18/h2-3,7-9,11,24H,4-6,10H2,1H3.
What are the key properties of 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 405.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,5-difluoro-4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 123688256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).