2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

C11H10F3N3 — CID 143211447

IUPAC2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESNC1=C(n2ccnc2)C=CCC(C(F)(F)F)=C1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-2-1-3-10(9(15)6-8)17-5-4-16-7-17/h1,3-7H,2,15H2
InChIKeyDBNMTTVEUMNDRS-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.46
Rot. Bonds1

About 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (PubChem CID 143211447) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
PubChem CID143211447
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESNC1=C(n2ccnc2)C=CCC(C(F)(F)F)=C1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-2-1-3-10(9(15)6-8)17-5-4-16-7-17/h1,3-7H,2,15H2
InChIKeyDBNMTTVEUMNDRS-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
5-(4-Methylimidazol-1-yl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67208851
1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine
CID 67694992
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375
1-Fluoro-3-(4-imidazol-1-ylcyclohexa-1,5-dien-1-yl)pentan-2-amine
CID 134316493
1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine
CID 134448195
N-propyl-1-[(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methyl]imidazol-4-amine
CID 134525325
1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine
CID 134525386
2-Methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
CID 134600372
1-[(3,4,5-Trifluorocyclohepta-1,3,5-trien-1-yl)methyl]imidazol-4-amine
CID 142384164
(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine
CID 142967125
1-[1-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030218

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (CID 143211447) is 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is NC1=C(n2ccnc2)C=CCC(C(F)(F)F)=C1.
What is the InChIKey of 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is DBNMTTVEUMNDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)8-2-1-3-10(9(15)6-8)17-5-4-16-7-17/h1,3-7H,2,15H2.
What are the key properties of 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 241.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143211447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).