2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole

C9H13F3N2 — CID 137469611

IUPAC2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)cn1CC(C)C
InChIInChI=1S/C9H13F3N2/c1-6(2)4-14-5-8(9(10,11)12)13-7(14)3/h5-6H,4H2,1-3H3
InChIKeyKRHTVPLUMHOZPZ-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole

2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole (PubChem CID 137469611) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole
PubChem CID137469611
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole
SMILESCc1nc(C(F)(F)F)cn1CC(C)C
InChIInChI=1S/C9H13F3N2/c1-6(2)4-14-5-8(9(10,11)12)13-7(14)3/h5-6H,4H2,1-3H3
InChIKeyKRHTVPLUMHOZPZ-UHFFFAOYSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
1,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 12348472
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
1-Methyl-2-methylsulfanyl-5-trifluoromethyl-1H-imidazole
CID 15684177
1,2-Dimethyl-1H-imidazole-5-methanamine
CID 13062778
2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
CID 14719928
8-methyl-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 45480427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole (CID 137469611) is 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole is Cc1nc(C(F)(F)F)cn1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole?
The InChIKey is KRHTVPLUMHOZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-6(2)4-14-5-8(9(10,11)12)13-7(14)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole?
2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole has a molecular weight of 206.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 137469611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).