5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole

C11H8ClF3N2O — CID 117260362

IUPAC5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
SMILESCn1c(Cl)cnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8ClF3N2O/c1-17-9(12)6-16-10(17)18-8-4-2-7(3-5-8)11(13,14)15/h2-6H,1H3
InChIKeyLTFZZNQTPFTCFI-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.88
Rot. Bonds2

About 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole

5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole (PubChem CID 117260362) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
PubChem CID117260362
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Name5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
SMILESCn1c(Cl)cnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8ClF3N2O/c1-17-9(12)6-16-10(17)18-8-4-2-7(3-5-8)11(13,14)15/h2-6H,1H3
InChIKeyLTFZZNQTPFTCFI-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
5-bromo-2-(4-chlorophenoxy)-1-methylimidazole
CID 117190500
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702101
2-chloro-4-methoxy-6-[4-(trifluoromethyl)phenoxy]-1,3,5-triazine
CID 62857484
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 106999154
2-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 43217289
3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 135235807
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole
CID 175089422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole?
The IUPAC name of 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole (CID 117260362) is 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole?
The canonical SMILES for 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole is Cn1c(Cl)cnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole?
The InChIKey is LTFZZNQTPFTCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c1-17-9(12)6-16-10(17)18-8-4-2-7(3-5-8)11(13,14)15/h2-6H,1H3.
What are the key properties of 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole?
5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole has a molecular weight of 276.65 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole is sourced from PubChem (CID 117260362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).