2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole

C14H19FN2 — CID 142149368

IUPAC2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
SMILESC=C(/C(F)=C\C=C/C(C)CC)c1nccn1C
InChIInChI=1S/C14H19FN2/c1-5-11(2)7-6-8-13(15)12(3)14-16-9-10-17(14)4/h6-11H,3,5H2,1-2,4H3/b7-6-,13-8+
InChIKeyZTZYCKIGCCCSSI-ONVRAGQBSA-N
MW234.32 g/mol
LogP3.89
Rot. Bonds5

About 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole

2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole (PubChem CID 142149368) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
PubChem CID142149368
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
SMILESC=C(/C(F)=C\C=C/C(C)CC)c1nccn1C
InChIInChI=1S/C14H19FN2/c1-5-11(2)7-6-8-13(15)12(3)14-16-9-10-17(14)4/h6-11H,3,5H2,1-2,4H3/b7-6-,13-8+
InChIKeyZTZYCKIGCCCSSI-ONVRAGQBSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole 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

1-Subsituted 1H-imidazole, 14
CID 25116047
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
2-[(Z)-(2-ethylcyclopentylidene)methyl]-1-methylimidazole
CID 10987073
N-geranylimidazol
CID 13309275
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
CID 164642173
1-(6-Fluoro-2,4-dimethylcyclohexa-1,3-dien-1-yl)imidazole
CID 56976663
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
2-Fluoro-6-(3-imidazol-1-ylpropylimino)cyclohexa-2,4-diene-1-carbonitrile
CID 70183669
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole?
The IUPAC name of 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole (CID 142149368) is 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole.
What is the SMILES notation for 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole?
The canonical SMILES for 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole is C=C(/C(F)=C\C=C/C(C)CC)c1nccn1C.
What is the InChIKey of 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole?
The InChIKey is ZTZYCKIGCCCSSI-ONVRAGQBSA-N. The full InChI is InChI=1S/C14H19FN2/c1-5-11(2)7-6-8-13(15)12(3)14-16-9-10-17(14)4/h6-11H,3,5H2,1-2,4H3/b7-6-,13-8+.
What are the key properties of 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole?
2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole has a molecular weight of 234.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole is sourced from PubChem (CID 142149368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).