1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole

C9H13F3N2 — CID 170364519

IUPAC1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCc1c(C(F)(F)F)nc(C(C)C)n1C
InChIInChI=1S/C9H13F3N2/c1-5(2)8-13-7(9(10,11)12)6(3)14(8)4/h5H,1-4H3
InChIKeyVLIZKIAHXOSORL-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.87
Rot. Bonds1

About 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole

1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 170364519) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID170364519
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCc1c(C(F)(F)F)nc(C(C)C)n1C
InChIInChI=1S/C9H13F3N2/c1-5(2)8-13-7(9(10,11)12)6(3)14(8)4/h5H,1-4H3
InChIKeyVLIZKIAHXOSORL-UHFFFAOYSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine
CID 18722289
1,2,3,4,5-Pentamethylimidazol-1-ium;trifluoromethanesulfonate
CID 140058708
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560
1-(1,4,5-trimethyl-1H-imidazol-2-yl)ethan-1-amine
CID 82463368
2-[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl]-4,6-difluoro-1,3,5-triazine
CID 102297975
2-(Difluoromethyl)-1-methylimidazole-4,5-dicarbonitrile
CID 138985010
2-Fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
CID 155932247
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
1-Ethyl trimethylimidazole
CID 24871657

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole (CID 170364519) is 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole is Cc1c(C(F)(F)F)nc(C(C)C)n1C.
What is the InChIKey of 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is VLIZKIAHXOSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-5(2)8-13-7(9(10,11)12)6(3)14(8)4/h5H,1-4H3.
What are the key properties of 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole?
1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 206.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 170364519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).