1,4-dimethyl-5-(trifluoromethyl)imidazole

C6H7F3N2 — CID 20719661

IUPAC1,4-dimethyl-5-(trifluoromethyl)imidazole
SMILESCc1ncn(C)c1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4-5(6(7,8)9)11(2)3-10-4/h3H,1-2H3
InChIKeyCLUBIMBOJWCTDS-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.75
Rot. Bonds

About 1,4-dimethyl-5-(trifluoromethyl)imidazole

1,4-dimethyl-5-(trifluoromethyl)imidazole (PubChem CID 20719661) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,4-dimethyl-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1,4-dimethyl-5-(trifluoromethyl)imidazole
PubChem CID20719661
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1,4-dimethyl-5-(trifluoromethyl)imidazole
SMILESCc1ncn(C)c1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4-5(6(7,8)9)11(2)3-10-4/h3H,1-2H3
InChIKeyCLUBIMBOJWCTDS-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
1H-Imidazole, 4-methyl-5-(trifluoromethyl)-
CID 591632
4-Bromo-1,5-dimethyl-1H-imidazole
CID 15639182
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
5-bromo-1,4-dimethyl-1H-imidazole
CID 58641831
1,4-dimethyl-1H-imidazol-5-amine hydrochloride
CID 74889882
2-bromo-1,4,5-trimethyl-1H-imidazole
CID 74890576
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(trifluoromethyl)imidazole?
The IUPAC name of 1,4-dimethyl-5-(trifluoromethyl)imidazole (CID 20719661) is 1,4-dimethyl-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 1,4-dimethyl-5-(trifluoromethyl)imidazole?
The canonical SMILES for 1,4-dimethyl-5-(trifluoromethyl)imidazole is Cc1ncn(C)c1C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-5-(trifluoromethyl)imidazole?
The InChIKey is CLUBIMBOJWCTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-5(6(7,8)9)11(2)3-10-4/h3H,1-2H3.
What are the key properties of 1,4-dimethyl-5-(trifluoromethyl)imidazole?
1,4-dimethyl-5-(trifluoromethyl)imidazole has a molecular weight of 164.13 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 20719661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).