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

C11H11F3N2 — CID 134600372

IUPAC2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
SMILESCc1nccn1C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C11H11F3N2/c1-8-15-6-7-16(8)10-4-2-9(3-5-10)11(12,13)14/h2,4-7,9H,3H2,1H3
InChIKeyNXRSTMXHRYGAKK-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.17
Rot. Bonds1

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

2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole (PubChem CID 134600372) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
PubChem CID134600372
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
SMILESCc1nccn1C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C11H11F3N2/c1-8-15-6-7-16(8)10-4-2-9(3-5-10)11(12,13)14/h2,4-7,9H,3H2,1H3
InChIKeyNXRSTMXHRYGAKK-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole (CID 134600372) is 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole is Cc1nccn1C1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole?
The InChIKey is NXRSTMXHRYGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-8-15-6-7-16(8)10-4-2-9(3-5-10)11(12,13)14/h2,4-7,9H,3H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole?
2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole has a molecular weight of 228.22 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole is sourced from PubChem (CID 134600372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).