2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole

C8H12F2N2 — CID 169155852

IUPAC2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole
SMILESCC(C)c1cn(C)c(C(F)F)n1
InChIInChI=1S/C8H12F2N2/c1-5(2)6-4-12(3)8(11-6)7(9)10/h4-5,7H,1-3H3
InChIKeyGBHDZLWDLKYAKK-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.48
Rot. Bonds2

About 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole

2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole (PubChem CID 169155852) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole
PubChem CID169155852
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole
SMILESCC(C)c1cn(C)c(C(F)F)n1
InChIInChI=1S/C8H12F2N2/c1-5(2)6-4-12(3)8(11-6)7(9)10/h4-5,7H,1-3H3
InChIKeyGBHDZLWDLKYAKK-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
1-Cyclopropylmethyl-5-isobutyl-1H-imidazole
CID 10329901
4-Isopropyl-2-methylimidazole
CID 11126255
3-Isopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9855566
5-cyclopropyl-1-methyl-1H-imidazole
CID 116811639
2-(2-Tert-butyl-1-methylimidazol-4-yl)ethanamine
CID 44292159
2-[1-Methyl-2-(propan-2-yl)-1H-imidazol-4-yl]ethan-1-amine
CID 44292160
2-(2-Cyclopropyl-1-methylimidazol-4-yl)ethanamine
CID 44292227
1-Cyclopropylmethyl-5-propyl-1H-imidazole
CID 44345898
5-(2-Methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
CID 56663227
1H-Imidazole, 2,4-bis(1-methylethyl)-
CID 12199462
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole?
The IUPAC name of 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole (CID 169155852) is 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole.
What is the SMILES notation for 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole?
The canonical SMILES for 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole is CC(C)c1cn(C)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole?
The InChIKey is GBHDZLWDLKYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-5(2)6-4-12(3)8(11-6)7(9)10/h4-5,7H,1-3H3.
What are the key properties of 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole?
2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole has a molecular weight of 174.19 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methyl-4-propan-2-ylimidazole is sourced from PubChem (CID 169155852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).