2-propyl-1-(trifluoromethyl)imidazole

C7H9F3N2 — CID 142926111

IUPAC2-propyl-1-(trifluoromethyl)imidazole
SMILESCCCc1nccn1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-2-3-6-11-4-5-12(6)7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyVXBBBKNBDXUHIW-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.31
Rot. Bonds2

About 2-propyl-1-(trifluoromethyl)imidazole

2-propyl-1-(trifluoromethyl)imidazole (PubChem CID 142926111) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-propyl-1-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-propyl-1-(trifluoromethyl)imidazole
PubChem CID142926111
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-propyl-1-(trifluoromethyl)imidazole
SMILESCCCc1nccn1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-2-3-6-11-4-5-12(6)7(8,9)10/h4-5H,2-3H2,1H3
InChIKeyVXBBBKNBDXUHIW-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
CID 155970532
azane;1-methyl-2-propylimidazole
CID 174525892
1-iodo-2-propylimidazole
CID 139936657
methanamine;1-methyl-2-propylimidazole
CID 164902083
5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306319
2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
CID 151519521
3-(1-tert-butylimidazol-2-yl)propanoic acid
CID 83879918
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
[1-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]methanol
CID 20509969
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
CID 107086151
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869330

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(trifluoromethyl)imidazole?
The IUPAC name of 2-propyl-1-(trifluoromethyl)imidazole (CID 142926111) is 2-propyl-1-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-propyl-1-(trifluoromethyl)imidazole?
The canonical SMILES for 2-propyl-1-(trifluoromethyl)imidazole is CCCc1nccn1C(F)(F)F.
What is the InChIKey of 2-propyl-1-(trifluoromethyl)imidazole?
The InChIKey is VXBBBKNBDXUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-2-3-6-11-4-5-12(6)7(8,9)10/h4-5H,2-3H2,1H3.
What are the key properties of 2-propyl-1-(trifluoromethyl)imidazole?
2-propyl-1-(trifluoromethyl)imidazole has a molecular weight of 178.16 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(trifluoromethyl)imidazole is sourced from PubChem (CID 142926111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).