2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole

C9H9F3N2 — CID 88574207

IUPAC2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole
SMILESC=C(/C=C\C)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H9F3N2/c1-3-4-6(2)8-13-5-7(14-8)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)/b4-3-
InChIKeyUUWKYNVNBQVXIM-ARJAWSKDSA-N
MW202.18 g/mol
LogP3.02
Rot. Bonds2

About 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole

2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 88574207) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID88574207
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole
SMILESC=C(/C=C\C)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C9H9F3N2/c1-3-4-6(2)8-13-5-7(14-8)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)/b4-3-
InChIKeyUUWKYNVNBQVXIM-ARJAWSKDSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
Imidazolyl-4-allylamine
CID 6438855
5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-amine
CID 10820593
(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
CID 14983630
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
5-(3-aminoprop-1-enyl)-1H-imidazol-2-amine
CID 54505519
(2Z,4Z)-6,6,6-trifluoro-5-hydroxy-2-(5-methyl-1H-imidazol-2-yl)hexa-2,4-dienenitrile
CID 137316157
Vinyl(ethyl)imidazol
CID 21649601
2,5-bis(ethenyl)-1H-imidazole
CID 54257741
2-(2,6-Dimethyl-5-heptenyl)-4-(trifluoromethyl)-1h-imidazole
CID 11161280
2-ethyl-4-(trifluoromethyl)-1H-imidazole
CID 11367186
2-isopropyl-5-(trifluoromethyl)-1H-imidazole
CID 12008326

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole (CID 88574207) is 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole is C=C(/C=C\C)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is UUWKYNVNBQVXIM-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-3-4-6(2)8-13-5-7(14-8)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)/b4-3-.
What are the key properties of 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole?
2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 202.18 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-penta-1,3-dien-2-yl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 88574207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).