1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine

C18H24FN3 — CID 155468115

IUPAC1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine
SMILESC=C/C(F)=C\C=C(C)\C(C=C)=C\n1cc(CN(C)C)nc1C
InChIInChI=1S/C18H24FN3/c1-7-16(14(3)9-10-17(19)8-2)11-22-13-18(12-21(5)6)20-15(22)4/h7-11,13H,1-2,12H2,3-6H3/b14-9+,16-11+,17-10+
InChIKeyYWCFWOPMUDMCIQ-AACXEMLJSA-N
MW301.41 g/mol
LogP4.27
Rot. Bonds7

About 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine

1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 155468115) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine
PubChem CID155468115
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine
SMILESC=C/C(F)=C\C=C(C)\C(C=C)=C\n1cc(CN(C)C)nc1C
InChIInChI=1S/C18H24FN3/c1-7-16(14(3)9-10-17(19)8-2)11-22-13-18(12-21(5)6)20-15(22)4/h7-11,13H,1-2,12H2,3-6H3/b14-9+,16-11+,17-10+
InChIKeyYWCFWOPMUDMCIQ-AACXEMLJSA-N
XLogP4.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine 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

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
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
5-(4-Methylimidazol-1-yl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67208851
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-(5-methylimidazol-1-yl)propan-1-amine
CID 71168011
1-[[3-(5-Ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine
CID 123965615
N-(5-chlorohexa-1,3,5-trien-2-yl)-N,4-dimethyl-2-[3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-1-yl]pent-2-en-3-amine
CID 123984143
1-Buta-1,3-dien-2-yl-2-methyl-4-(trifluoromethyl)imidazole
CID 124020728
5-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-methylimidazole
CID 129296647
2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole
CID 135158915

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine (CID 155468115) is 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine is C=C/C(F)=C\C=C(C)\C(C=C)=C\n1cc(CN(C)C)nc1C.
What is the InChIKey of 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is YWCFWOPMUDMCIQ-AACXEMLJSA-N. The full InChI is InChI=1S/C18H24FN3/c1-7-16(14(3)9-10-17(19)8-2)11-22-13-18(12-21(5)6)20-15(22)4/h7-11,13H,1-2,12H2,3-6H3/b14-9+,16-11+,17-10+.
What are the key properties of 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine?
1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 301.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1E,3E,5E)-2-ethenyl-6-fluoro-3-methylocta-1,3,5,7-tetraenyl]-2-methylimidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 155468115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).