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

C24H14Cl2F3N5O2 — CID 122196210

IUPAC7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2Cl)ccc1Cl
InChIInChI=1S/C24H14Cl2F3N5O2/c25-18-3-2-16(8-17(18)24(27,28)29)36-21-4-1-14(7-19(21)26)12-35-22-5-6-34-20(11-32-23(34)33-22)15-9-30-13-31-10-15/h1-11,13H,12H2
InChIKeyAKKROBABWRSZQG-UHFFFAOYSA-N
MW532.31 g/mol
LogP6.88
Rot. Bonds6

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

7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (PubChem CID 122196210) has the molecular formula C24H14Cl2F3N5O2 and a molecular weight of 532.31 g/mol. Its IUPAC name is 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
PubChem CID122196210
Molecular FormulaC24H14Cl2F3N5O2
Molecular Weight532.31 g/mol
Exact Mass531.05
IUPAC Name7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2Cl)ccc1Cl
InChIInChI=1S/C24H14Cl2F3N5O2/c25-18-3-2-16(8-17(18)24(27,28)29)36-21-4-1-14(7-19(21)26)12-35-22-5-6-34-20(11-32-23(34)33-22)15-9-30-13-31-10-15/h1-11,13H,12H2
InChIKeyAKKROBABWRSZQG-UHFFFAOYSA-N
XLogP6.88
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.31
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (CID 122196210) is 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2Cl)ccc1Cl.
What is the InChIKey of 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The InChIKey is AKKROBABWRSZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N5O2/c25-18-3-2-16(8-17(18)24(27,28)29)36-21-4-1-14(7-19(21)26)12-35-22-5-6-34-20(11-32-23(34)33-22)15-9-30-13-31-10-15/h1-11,13H,12H2.
What are the key properties of 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine has a molecular weight of 532.31 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).