3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine

C14H7F6N3 — CID 156533673

IUPAC3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cnc3ncc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H7F6N3/c15-13(16,17)10-3-1-8(2-4-10)9-5-21-12-22-6-11(14(18,19)20)23(12)7-9/h1-7H
InChIKeyZHHQOGCIWPTWBV-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.43
Rot. Bonds1

About 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine

3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 156533673) has the molecular formula C14H7F6N3 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID156533673
Molecular FormulaC14H7F6N3
Molecular Weight331.22 g/mol
Exact Mass331.05
IUPAC Name3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cnc3ncc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C14H7F6N3/c15-13(16,17)10-3-1-8(2-4-10)9-5-21-12-22-6-11(14(18,19)20)23(12)7-9/h1-7H
InChIKeyZHHQOGCIWPTWBV-UHFFFAOYSA-N
XLogP4.43
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
CID 133089573
3-ethynyl-8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 86608095
1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142362552
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
1-amino-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 87232370
3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 67000967
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine (CID 156533673) is 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine is FC(F)(F)c1ccc(-c2cnc3ncc(C(F)(F)F)n3c2)cc1.
What is the InChIKey of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is ZHHQOGCIWPTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3/c15-13(16,17)10-3-1-8(2-4-10)9-5-21-12-22-6-11(14(18,19)20)23(12)7-9/h1-7H.
What are the key properties of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 331.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 156533673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).