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

C15H9F6N3O — CID 134543915

IUPAC6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(F)(F)F)n2c1
InChIInChI=1S/C15H9F6N3O/c1-8-4-10(25-15(19,20)21)2-3-11(8)9-5-22-13-23-6-12(14(16,17)18)24(13)7-9/h2-7H,1H3
InChIKeyNRBYQZQIGMULHU-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.62
Rot. Bonds2

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

6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 134543915) has the molecular formula C15H9F6N3O and a molecular weight of 361.25 g/mol. Its IUPAC name is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID134543915
Molecular FormulaC15H9F6N3O
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(F)(F)F)n2c1
InChIInChI=1S/C15H9F6N3O/c1-8-4-10(25-15(19,20)21)2-3-11(8)9-5-22-13-23-6-12(14(16,17)18)24(13)7-9/h2-7H,1H3
InChIKeyNRBYQZQIGMULHU-UHFFFAOYSA-N
XLogP4.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-[4-[3-(Azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
CID 22390950
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine
CID 134179385
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
2-[4-(Trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 2812032
2-(4-Methoxyphenyl)imidazo[2,1-a]isoquinoline
CID 746061
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
2-(4-Methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 404537
N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
CID 162396657
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 134543915) is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine is Cc1cc(OC(F)(F)F)ccc1-c1cnc2ncc(C(F)(F)F)n2c1.
What is the InChIKey of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is NRBYQZQIGMULHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O/c1-8-4-10(25-15(19,20)21)2-3-11(8)9-5-22-13-23-6-12(14(16,17)18)24(13)7-9/h2-7H,1H3.
What are the key properties of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 361.25 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 134543915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).