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

C5H4ClF3N2 — CID 91041704

IUPAC4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1Cl
InChIInChI=1S/C5H4ClF3N2/c1-2-3(6)11-4(10-2)5(7,8)9/h1H3,(H,10,11)
InChIKeyYZEPKCKHYHJRFH-UHFFFAOYSA-N
MW184.55 g/mol
LogP2.39
Rot. Bonds

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

4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 91041704) has the molecular formula C5H4ClF3N2 and a molecular weight of 184.55 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID91041704
Molecular FormulaC5H4ClF3N2
Molecular Weight184.55 g/mol
Exact Mass184.00
IUPAC Name4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1Cl
InChIInChI=1S/C5H4ClF3N2/c1-2-3(6)11-4(10-2)5(7,8)9/h1H3,(H,10,11)
InChIKeyYZEPKCKHYHJRFH-UHFFFAOYSA-N
XLogP2.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-5-methyl-2-(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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole (CID 91041704) is 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C(F)(F)F)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is YZEPKCKHYHJRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2/c1-2-3(6)11-4(10-2)5(7,8)9/h1H3,(H,10,11).
What are the key properties of 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole?
4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 184.55 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 91041704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).