1-(3,3-difluorobutyl)-2-methylimidazole

C8H12F2N2 — CID 126793824

IUPAC1-(3,3-difluorobutyl)-2-methylimidazole
SMILESCc1nccn1CCC(C)(F)F
InChIInChI=1S/C8H12F2N2/c1-7-11-4-6-12(7)5-3-8(2,9)10/h4,6H,3,5H2,1-2H3
InChIKeyJAEBTTPQMWKVGA-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.24
Rot. Bonds3

About 1-(3,3-difluorobutyl)-2-methylimidazole

1-(3,3-difluorobutyl)-2-methylimidazole (PubChem CID 126793824) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)-2-methylimidazole
PubChem CID126793824
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-(3,3-difluorobutyl)-2-methylimidazole
SMILESCc1nccn1CCC(C)(F)F
InChIInChI=1S/C8H12F2N2/c1-7-11-4-6-12(7)5-3-8(2,9)10/h4,6H,3,5H2,1-2H3
InChIKeyJAEBTTPQMWKVGA-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluorobutyl)-2-methylimidazole 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

1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
CID 112687525
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole
CID 170281911
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
2-fluoro-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 84654101
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61492962

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)-2-methylimidazole?
The IUPAC name of 1-(3,3-difluorobutyl)-2-methylimidazole (CID 126793824) is 1-(3,3-difluorobutyl)-2-methylimidazole.
What is the SMILES notation for 1-(3,3-difluorobutyl)-2-methylimidazole?
The canonical SMILES for 1-(3,3-difluorobutyl)-2-methylimidazole is Cc1nccn1CCC(C)(F)F.
What is the InChIKey of 1-(3,3-difluorobutyl)-2-methylimidazole?
The InChIKey is JAEBTTPQMWKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-7-11-4-6-12(7)5-3-8(2,9)10/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-(3,3-difluorobutyl)-2-methylimidazole?
1-(3,3-difluorobutyl)-2-methylimidazole has a molecular weight of 174.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)-2-methylimidazole is sourced from PubChem (CID 126793824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).