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

C24H15ClF3N5O2 — CID 122196132

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl
InChIInChI=1S/C24H15ClF3N5O2/c25-20-6-5-18(9-19(20)24(26,27)28)35-17-3-1-15(2-4-17)13-34-22-7-8-33-21(12-31-23(33)32-22)16-10-29-14-30-11-16/h1-12,14H,13H2
InChIKeyNUEDBDKXWAHMBH-UHFFFAOYSA-N
MW497.86 g/mol
LogP6.23
Rot. Bonds6

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

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (PubChem CID 122196132) has the molecular formula C24H15ClF3N5O2 and a molecular weight of 497.86 g/mol. Its IUPAC name is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
PubChem CID122196132
Molecular FormulaC24H15ClF3N5O2
Molecular Weight497.86 g/mol
Exact Mass497.09
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl
InChIInChI=1S/C24H15ClF3N5O2/c25-20-6-5-18(9-19(20)24(26,27)28)35-17-3-1-15(2-4-17)13-34-22-7-8-33-21(12-31-23(33)32-22)16-10-29-14-30-11-16/h1-12,14H,13H2
InChIKeyNUEDBDKXWAHMBH-UHFFFAOYSA-N
XLogP6.23
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.86
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (CID 122196132) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[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)cc2)ccc1Cl.
What is the InChIKey of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The InChIKey is NUEDBDKXWAHMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3N5O2/c25-20-6-5-18(9-19(20)24(26,27)28)35-17-3-1-15(2-4-17)13-34-22-7-8-33-21(12-31-23(33)32-22)16-10-29-14-30-11-16/h1-12,14H,13H2.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine has a molecular weight of 497.86 g/mol, XLogP of 6.23, 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]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).