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

C22H23F2N3O3 — CID 123890259

IUPAC7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESC=C(C)C(F)=CC(=CCC)Oc1ccc(COc2cc3n(c(=O)n2)CCN3)cc1F
InChIInChI=1S/C22H23F2N3O3/c1-4-5-16(11-17(23)14(2)3)30-19-7-6-15(10-18(19)24)13-29-21-12-20-25-8-9-27(20)22(28)26-21/h5-7,10-12,25H,2,4,8-9,13H2,1,3H3
InChIKeyJRSPRIYPMPNCRO-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.49
Rot. Bonds8

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

7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 123890259) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID123890259
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESC=C(C)C(F)=CC(=CCC)Oc1ccc(COc2cc3n(c(=O)n2)CCN3)cc1F
InChIInChI=1S/C22H23F2N3O3/c1-4-5-16(11-17(23)14(2)3)30-19-7-6-15(10-18(19)24)13-29-21-12-20-25-8-9-27(20)22(28)26-21/h5-7,10-12,25H,2,4,8-9,13H2,1,3H3
InChIKeyJRSPRIYPMPNCRO-UHFFFAOYSA-N
XLogP4.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-[[3-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 71243771
2-[3-(1,1-difluoroethyl)-4-fluorophenoxy]-5-[(5-oxo-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 90247137
11-[[3-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,3,4,5,6,7-hexahydro-1H-pyrimido[1,6-a][1,3]diazonin-9-one
CID 118685957
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
(2R)-8-[(4-fluorophenyl)methoxy]-2-methyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-6-one
CID 90308230
7-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 71240969
(2S)-7-[[3-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 86728413
2-[3-(fluoromethyl)phenoxy]-5-[(6-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-8-yl)oxymethyl]benzonitrile
CID 90247655
3-[2-fluoro-4-[(1-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)oxymethyl]phenoxy]benzonitrile
CID 71243770
8-[[4-(3,5-difluorophenoxy)-3-fluorophenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236587
8-[[4-(3-chloro-4-fluorophenoxy)-3-fluorophenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236617
4-[(3,4-difluorophenyl)methoxy]-11-methylsulfonyl-1,5,7,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 130232691

Frequently Asked Questions

What is the IUPAC name of 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (CID 123890259) is 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is C=C(C)C(F)=CC(=CCC)Oc1ccc(COc2cc3n(c(=O)n2)CCN3)cc1F.
What is the InChIKey of 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is JRSPRIYPMPNCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-4-5-16(11-17(23)14(2)3)30-19-7-6-15(10-18(19)24)13-29-21-12-20-25-8-9-27(20)22(28)26-21/h5-7,10-12,25H,2,4,8-9,13H2,1,3H3.
What are the key properties of 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 415.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-fluoro-4-(6-fluoro-7-methylocta-3,5,7-trien-4-yl)oxyphenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 123890259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).