7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine

C25H17ClF3N5O2 — CID 122695267

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESCc1cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc2ncc(-c3cncnc3)n12
InChIInChI=1S/C25H17ClF3N5O2/c1-15-8-23(33-24-32-12-22(34(15)24)17-10-30-14-31-11-17)35-13-16-2-4-18(5-3-16)36-19-6-7-21(26)20(9-19)25(27,28)29/h2-12,14H,13H2,1H3
InChIKeySCKNBTMDNLWDMA-UHFFFAOYSA-N
MW511.89 g/mol
LogP6.54
Rot. Bonds6

About 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (PubChem CID 122695267) has the molecular formula C25H17ClF3N5O2 and a molecular weight of 511.89 g/mol. Its IUPAC name is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
PubChem CID122695267
Molecular FormulaC25H17ClF3N5O2
Molecular Weight511.89 g/mol
Exact Mass511.10
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESCc1cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc2ncc(-c3cncnc3)n12
InChIInChI=1S/C25H17ClF3N5O2/c1-15-8-23(33-24-32-12-22(34(15)24)17-10-30-14-31-11-17)35-13-16-2-4-18(5-3-16)36-19-6-7-21(26)20(9-19)25(27,28)29/h2-12,14H,13H2,1H3
InChIKeySCKNBTMDNLWDMA-UHFFFAOYSA-N
XLogP6.54
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.89
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine
CID 122695352
7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122695323
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-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
CID 67966666
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one
CID 158677172
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
4-[4-chloro-3-(trifluoromethyl)phenoxy]pyrimidine
CID 117061351
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155
1-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethylamino]pyrimidin-4-one
CID 118481107

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (CID 122695267) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is Cc1cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc2ncc(-c3cncnc3)n12.
What is the InChIKey of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The InChIKey is SCKNBTMDNLWDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N5O2/c1-15-8-23(33-24-32-12-22(34(15)24)17-10-30-14-31-11-17)35-13-16-2-4-18(5-3-16)36-19-6-7-21(26)20(9-19)25(27,28)29/h2-12,14H,13H2,1H3.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine has a molecular weight of 511.89 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122695267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).