1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole

C5H7F3N2 — CID 123358722

IUPAC1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCN1C=NC(C(F)(F)F)C1
InChIInChI=1S/C5H7F3N2/c1-10-2-4(9-3-10)5(6,7)8/h3-4H,2H2,1H3
InChIKeyCIIULISWQOOESP-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.89
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole

1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 123358722) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID123358722
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCN1C=NC(C(F)(F)F)C1
InChIInChI=1S/C5H7F3N2/c1-10-2-4(9-3-10)5(6,7)8/h3-4H,2H2,1H3
InChIKeyCIIULISWQOOESP-UHFFFAOYSA-N
XLogP0.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Trifluoromethyl)-imidazoline
CID 129720075
1,3,4,5-Tetramethyl-4,5-dihydroimidazol-1-ium
CID 91506433
1-Methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 123407947
1-(Difluoromethyl)-4,5-dihydroimidazole
CID 141167077
2-Bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
CID 141167081
1-(2-Fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
CID 155110830
1-(3,3-Difluorocyclobutyl)-4,5-dihydroimidazole
CID 167316525
2,5,5-trifluoro-3-methyl-4H-imidazole
CID 172834187
1-(Difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378772
4-Ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378802
1-(2-Fluoroethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378803
1-(Difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole (CID 123358722) is 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole is CN1C=NC(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is CIIULISWQOOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-2-4(9-3-10)5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 152.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 123358722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).