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

C25H17ClF3N5O2 — CID 122196207

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESCc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H17ClF3N5O2/c1-15-8-16(2-5-22(15)36-18-3-4-20(26)19(9-18)25(27,28)29)13-35-23-6-7-34-21(12-32-24(34)33-23)17-10-30-14-31-11-17/h2-12,14H,13H2,1H3
InChIKeyCVEXXWDORGKBJR-UHFFFAOYSA-N
MW511.89 g/mol
LogP6.54
Rot. Bonds6

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

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (PubChem CID 122196207) 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]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
PubChem CID122196207
Molecular FormulaC25H17ClF3N5O2
Molecular Weight511.89 g/mol
Exact Mass511.10
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESCc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H17ClF3N5O2/c1-15-8-16(2-5-22(15)36-18-3-4-20(26)19(9-18)25(27,28)29)13-35-23-6-7-34-21(12-32-24(34)33-23)17-10-30-14-31-11-17/h2-12,14H,13H2,1H3
InChIKeyCVEXXWDORGKBJR-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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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (CID 122196207) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is Cc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The InChIKey is CVEXXWDORGKBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N5O2/c1-15-8-16(2-5-22(15)36-18-3-4-20(26)19(9-18)25(27,28)29)13-35-23-6-7-34-21(12-32-24(34)33-23)17-10-30-14-31-11-17/h2-12,14H,13H2,1H3.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-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]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).