2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole

C11H9F3N2O — CID 173241716

IUPAC2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
SMILESCc1nccn1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c1-8-15-5-6-16(8)9-3-2-4-10(7-9)17-11(12,13)14/h2-7H,1H3
InChIKeyOEBWOEIFSBYELK-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.08
Rot. Bonds2

About 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole

2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole (PubChem CID 173241716) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
PubChem CID173241716
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
SMILESCc1nccn1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c1-8-15-5-6-16(8)9-3-2-4-10(7-9)17-11(12,13)14/h2-7H,1H3
InChIKeyOEBWOEIFSBYELK-UHFFFAOYSA-N
XLogP3.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773
4-[2-[3-(2-methylimidazol-1-yl)phenoxy]ethoxy]-3-(trifluoromethoxy)benzonitrile
CID 138486313
[3-(2-methylimidazol-1-yl)phenyl] sulfamate
CID 10060816
1-[3-(2-methylimidazol-1-yl)phenyl]ethanol
CID 117290921
5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine
CID 21480091
2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
2-[3-(2-methylimidazol-1-yl)phenyl]-2-oxoacetic acid
CID 117332176
1-(3-azidophenyl)-2-methylimidazole
CID 150915452
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393
1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole (CID 173241716) is 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole is Cc1nccn1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is OEBWOEIFSBYELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-8-15-5-6-16(8)9-3-2-4-10(7-9)17-11(12,13)14/h2-7H,1H3.
What are the key properties of 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole?
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 242.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 173241716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).