1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine

C14H20FN3 — CID 143030220

IUPAC1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
SMILESC=C(/C=C(F)\C(C)=C/C)n1ccnc1CN(C)C
InChIInChI=1S/C14H20FN3/c1-6-11(2)13(15)9-12(3)18-8-7-16-14(18)10-17(4)5/h6-9H,3,10H2,1-2,4-5H3/b11-6-,13-9+
InChIKeyTVWAUANQYQSWEH-SYCZFAMZSA-N
MW249.33 g/mol
LogP3.23
Rot. Bonds5

About 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine

1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 143030220) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
PubChem CID143030220
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
SMILESC=C(/C=C(F)\C(C)=C/C)n1ccnc1CN(C)C
InChIInChI=1S/C14H20FN3/c1-6-11(2)13(15)9-12(3)18-8-7-16-14(18)10-17(4)5/h6-9H,3,10H2,1-2,4-5H3/b11-6-,13-9+
InChIKeyTVWAUANQYQSWEH-SYCZFAMZSA-N
XLogP3.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 14
CID 25116047
N-(dimethylallyl)imidazole
CID 57339814
1-Subsituted 1H-imidazole, 12
CID 57339815
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
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
N-geranylimidazol
CID 13309275
1-Ethyl-3-methylimidazolium 2-cyanopyrrolide
CID 134716186
(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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine (CID 143030220) is 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine is C=C(/C=C(F)\C(C)=C/C)n1ccnc1CN(C)C.
What is the InChIKey of 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is TVWAUANQYQSWEH-SYCZFAMZSA-N. The full InChI is InChI=1S/C14H20FN3/c1-6-11(2)13(15)9-12(3)18-8-7-16-14(18)10-17(4)5/h6-9H,3,10H2,1-2,4-5H3/b11-6-,13-9+.
What are the key properties of 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine?
1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 249.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 143030220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).