2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole

C11H11F3N2O — CID 134600265

IUPAC2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole
SMILESCc1nccn1C1=CCC(OC(F)(F)F)C=C1
InChIInChI=1S/C11H11F3N2O/c1-8-15-6-7-16(8)9-2-4-10(5-3-9)17-11(12,13)14/h2-4,6-7,10H,5H2,1H3
InChIKeyAHFMOAZVXWFMKN-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.90
Rot. Bonds2

About 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole

2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole (PubChem CID 134600265) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole
PubChem CID134600265
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole
SMILESCc1nccn1C1=CCC(OC(F)(F)F)C=C1
InChIInChI=1S/C11H11F3N2O/c1-8-15-6-7-16(8)9-2-4-10(5-3-9)17-11(12,13)14/h2-4,6-7,10H,5H2,1H3
InChIKeyAHFMOAZVXWFMKN-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole?
The IUPAC name of 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole (CID 134600265) is 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole is Cc1nccn1C1=CCC(OC(F)(F)F)C=C1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole?
The InChIKey is AHFMOAZVXWFMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-8-15-6-7-16(8)9-2-4-10(5-3-9)17-11(12,13)14/h2-4,6-7,10H,5H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole?
2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole has a molecular weight of 244.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]imidazole is sourced from PubChem (CID 134600265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).