2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole

C13H19F3N2 — CID 142070559

IUPAC2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole
SMILESCC/C=C(\C=C(/C)C1=CNC(C)N1C)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-5-6-11(13(14,15)16)7-9(2)12-8-17-10(3)18(12)4/h6-8,10,17H,5H2,1-4H3/b9-7+,11-6+
InChIKeyMMCJRHHFWKJBLD-HHGGOTJKSA-N
MW260.30 g/mol
LogP3.55
Rot. Bonds3

About 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole

2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole (PubChem CID 142070559) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole
PubChem CID142070559
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole
SMILESCC/C=C(\C=C(/C)C1=CNC(C)N1C)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-5-6-11(13(14,15)16)7-9(2)12-8-17-10(3)18(12)4/h6-8,10,17H,5H2,1-4H3/b9-7+,11-6+
InChIKeyMMCJRHHFWKJBLD-HHGGOTJKSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N'-ethyl-N-[[[(2E,4Z)-7,7,7-trifluorohepta-2,4-dien-3-yl]amino]methyl]propane-1,3-diamine
CID 132150015
(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine
CID 139435664
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
CID 146583215
2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
CID 151380274
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156715331
N'-[(3Z,5E)-3,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-yl]-N-[(4E,5E)-5-ethylidene-4-propylidene-1H-pyrrol-3-yl]methanediamine
CID 169614762
1-(2-methyl-1,3-dihydroimidazol-2-yl)-2-(trifluoromethyl)-2H-pyridine
CID 172776813
4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole
CID 174192470
N'-ethyl-N-[(3Z)-1-fluorohexa-3,5-dien-3-yl]-N'-propylmethanediamine
CID 174319375
(8aR)-8-bromo-3-(difluoromethyl)-6-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 129532317

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole?
The IUPAC name of 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole (CID 142070559) is 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole.
What is the SMILES notation for 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole?
The canonical SMILES for 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole is CC/C=C(\C=C(/C)C1=CNC(C)N1C)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole?
The InChIKey is MMCJRHHFWKJBLD-HHGGOTJKSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-5-6-11(13(14,15)16)7-9(2)12-8-17-10(3)18(12)4/h6-8,10,17H,5H2,1-4H3/b9-7+,11-6+.
What are the key properties of 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole?
2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole has a molecular weight of 260.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole is sourced from PubChem (CID 142070559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).