5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

C8H11F3N2 — CID 130194895

IUPAC5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-4(2)7-12-5(3)6(13-7)8(9,10)11/h4H,1-3H3,(H,12,13)
InChIKeyBYSWGDLFVQZIRJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.86
Rot. Bonds1

About 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 130194895) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
PubChem CID130194895
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-4(2)7-12-5(3)6(13-7)8(9,10)11/h4H,1-3H3,(H,12,13)
InChIKeyBYSWGDLFVQZIRJ-UHFFFAOYSA-N
XLogP2.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-Trimethylimidazole
CID 69976
4,5-Dimethyl-1H-imidazol-2-amine
CID 12485920
4,4',5,5'-Tetramethyl-2,2'-bisimidazole
CID 96790
5-iodo-2,4-dimethyl-1H-imidazole
CID 613638
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
Imidazole, 5-methyl-2,4-ditrifluoromethyl-
CID 612777
2,4,5-Tris(trifluoromethyl)imidazole
CID 12672663
4,5-dimethyl-1H-imidazole-2-carbonitrile
CID 19427257
(4,5-dimethyl-1H-imidazol-2-yl)methanamine dihydrochloride
CID 67007045
4,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 73554211
Imidazole, 2,5-dimethyl-4-trifluoromethyl-
CID 596410
Imidazole, 4,5-dimethyl-2-trifluoromethyl-
CID 596419

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (CID 130194895) is 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C(C)C)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is BYSWGDLFVQZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-4(2)7-12-5(3)6(13-7)8(9,10)11/h4H,1-3H3,(H,12,13).
What are the key properties of 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 192.18 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 130194895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).