2,5-bis(trifluoromethyl)-1H-imidazole

C5H2F6N2 — CID 12811210

IUPAC2,5-bis(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H2F6N2/c6-4(7,8)2-1-12-3(13-2)5(9,10)11/h1H,(H,12,13)
InChIKeyXDDZLUYCWFGXET-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.45
Rot. Bonds

About 2,5-bis(trifluoromethyl)-1H-imidazole

2,5-bis(trifluoromethyl)-1H-imidazole (PubChem CID 12811210) has the molecular formula C5H2F6N2 and a molecular weight of 204.07 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)-1H-imidazole
PubChem CID12811210
Molecular FormulaC5H2F6N2
Molecular Weight204.07 g/mol
Exact Mass204.01
IUPAC Name2,5-bis(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H2F6N2/c6-4(7,8)2-1-12-3(13-2)5(9,10)11/h1H,(H,12,13)
InChIKeyXDDZLUYCWFGXET-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-bis(trifluoromethyl)-1H-imidazole 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

4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
1H-imidazole-4-carbonitrile
CID 564457
4(5)-(Trifluoromethyl)imidazole
CID 585891
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
CID 576151
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
CID 322559
4-ethynyl-1H-imidazole
CID 18428363
2-methyl-1H-imidazole-4-carbothioamide
CID 2796714

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2,5-bis(trifluoromethyl)-1H-imidazole (CID 12811210) is 2,5-bis(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2,5-bis(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2,5-bis(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(C(F)(F)F)[nH]1.
What is the InChIKey of 2,5-bis(trifluoromethyl)-1H-imidazole?
The InChIKey is XDDZLUYCWFGXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2/c6-4(7,8)2-1-12-3(13-2)5(9,10)11/h1H,(H,12,13).
What are the key properties of 2,5-bis(trifluoromethyl)-1H-imidazole?
2,5-bis(trifluoromethyl)-1H-imidazole has a molecular weight of 204.07 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 12811210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).