ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole

C15H21F3N2 — CID 142004720

IUPACethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
SMILESC/C=C\C=C(/C=C\C)c1nc(C(F)(F)F)cn1C.CC
InChIInChI=1S/C13H15F3N2.C2H6/c1-4-6-8-10(7-5-2)12-17-11(9-18(12)3)13(14,15)16;1-2/h4-9H,1-3H3;1-2H3/b6-4-,7-5-,10-8+;
InChIKeyOYONZTMTEPPLOR-GTIHCUCQSA-N
MW286.34 g/mol
LogP5.00
Rot. Bonds3

About ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole

ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole (PubChem CID 142004720) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Nameethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
PubChem CID142004720
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Nameethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
SMILESC/C=C\C=C(/C=C\C)c1nc(C(F)(F)F)cn1C.CC
InChIInChI=1S/C13H15F3N2.C2H6/c1-4-6-8-10(7-5-2)12-17-11(9-18(12)3)13(14,15)16;1-2/h4-9H,1-3H3;1-2H3/b6-4-,7-5-,10-8+;
InChIKeyOYONZTMTEPPLOR-GTIHCUCQSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-
CID 6442774
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(2-methylpropyl)-, (E)-
CID 6442784
2-[[2-(1,4-Difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole
CID 22181647
2-[[2-(1,4-Difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole
CID 22181669
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
5-Ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
CID 59746127
5-(4-Methylimidazol-1-yl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67208851
1,2-Dimethyl-5-(2,2,2-trifluoroethyl)imidazole
CID 69174145
2-Ethyl-1-propyl-4-(trifluoromethyl)imidazole
CID 71124860
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-(5-methylimidazol-1-yl)propan-1-amine
CID 71168011

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
The IUPAC name of ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole (CID 142004720) is ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole is C/C=C\C=C(/C=C\C)c1nc(C(F)(F)F)cn1C.CC.
What is the InChIKey of ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
The InChIKey is OYONZTMTEPPLOR-GTIHCUCQSA-N. The full InChI is InChI=1S/C13H15F3N2.C2H6/c1-4-6-8-10(7-5-2)12-17-11(9-18(12)3)13(14,15)16;1-2/h4-9H,1-3H3;1-2H3/b6-4-,7-5-,10-8+;.
What are the key properties of ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole has a molecular weight of 286.34 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 142004720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).