4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole

C5H4F4N2 — CID 597804

IUPAC4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1F
InChIInChI=1S/C5H4F4N2/c1-2-3(6)11-4(10-2)5(7,8)9/h1H3,(H,10,11)
InChIKeyMPAWFNWNMCNMQR-UHFFFAOYSA-N
MW168.09 g/mol
LogP1.88
Rot. Bonds

About 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole

4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 597804) has the molecular formula C5H4F4N2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID597804
Molecular FormulaC5H4F4N2
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1F
InChIInChI=1S/C5H4F4N2/c1-2-3(6)11-4(10-2)5(7,8)9/h1H3,(H,10,11)
InChIKeyMPAWFNWNMCNMQR-UHFFFAOYSA-N
XLogP1.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1H-imidazole-4,5-dicarbonitrile
CID 5260593
2,4,5-Trimethylimidazole
CID 69976
4,5-Dimethyl-1H-imidazol-2-amine
CID 12485920
2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
1H-Imidazole, 4-methyl-5-(trifluoromethyl)-
CID 591632
5-iodo-2,4-dimethyl-1H-imidazole
CID 613638
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
5-Fluoro-4-methyl-1H-imidazole
CID 567875
Imidazole, 5-methyl-2,4-ditrifluoromethyl-
CID 612777
2,4,5-Tris(trifluoromethyl)imidazole
CID 12672663
4,5-dimethyl-1H-imidazole-2-carbonitrile
CID 19427257
4-bromo-2,5-dimethyl-1H-imidazole
CID 30032995

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole (CID 597804) is 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C(F)(F)F)nc1F.
What is the InChIKey of 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is MPAWFNWNMCNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2/c1-2-3(6)11-4(10-2)5(7,8)9/h1H3,(H,10,11).
What are the key properties of 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 168.09 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 597804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).