7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine

C19H11Cl2F2N3O2 — CID 122695290

IUPAC7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine
SMILESFc1cc(COc2ccn3ccnc3n2)cc(F)c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2F2N3O2/c20-13-2-1-12(9-14(13)21)28-18-15(22)7-11(8-16(18)23)10-27-17-3-5-26-6-4-24-19(26)25-17/h1-9H,10H2
InChIKeyLFYXKTBETXWYGV-UHFFFAOYSA-N
MW422.22 g/mol
LogP5.69
Rot. Bonds5

About 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine

7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine (PubChem CID 122695290) has the molecular formula C19H11Cl2F2N3O2 and a molecular weight of 422.22 g/mol. Its IUPAC name is 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine
PubChem CID122695290
Molecular FormulaC19H11Cl2F2N3O2
Molecular Weight422.22 g/mol
Exact Mass421.02
IUPAC Name7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine
SMILESFc1cc(COc2ccn3ccnc3n2)cc(F)c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2F2N3O2/c20-13-2-1-12(9-14(13)21)28-18-15(22)7-11(8-16(18)23)10-27-17-3-5-26-6-4-24-19(26)25-17/h1-9H,10H2
InChIKeyLFYXKTBETXWYGV-UHFFFAOYSA-N
XLogP5.69
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.22
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,6-difluoro-4-(imidazo[1,2-a]pyrimidin-7-yloxymethyl)phenoxy]-2-fluorobenzonitrile
CID 122695285
4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-1-ethyl-6-methylpyrimidin-2-one
CID 134166720
7-[[3,5-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 145184578
4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
CID 134166721
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
CID 63879344
(2R)-8-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 77105028
7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122695323
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrimidin-2-one
CID 121448462
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-piperazin-4-ium-1-ylpyrimidin-2-one
CID 145108456
8-(4-chloro-3-fluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 82719370
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
CID 121448383

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine (CID 122695290) is 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine is Fc1cc(COc2ccn3ccnc3n2)cc(F)c1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine?
The InChIKey is LFYXKTBETXWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F2N3O2/c20-13-2-1-12(9-14(13)21)28-18-15(22)7-11(8-16(18)23)10-27-17-3-5-26-6-4-24-19(26)25-17/h1-9H,10H2.
What are the key properties of 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine?
7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine has a molecular weight of 422.22 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122695290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).