5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole

C8H6ClF3N4 — CID 23199629

IUPAC5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole
SMILESCn1c(Cl)cnc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H6ClF3N4/c1-16-5(9)3-14-7(16)6-13-2-4(15-6)8(10,11)12/h2-3H,1H3,(H,13,15)
InChIKeyPTXXIYHMHVRJTM-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.48
Rot. Bonds1

About 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole

5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole (PubChem CID 23199629) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole
PubChem CID23199629
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole
SMILESCn1c(Cl)cnc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H6ClF3N4/c1-16-5(9)3-14-7(16)6-13-2-4(15-6)8(10,11)12/h2-3H,1H3,(H,13,15)
InChIKeyPTXXIYHMHVRJTM-UHFFFAOYSA-N
XLogP2.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]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 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole?
The IUPAC name of 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole (CID 23199629) is 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole?
The canonical SMILES for 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole is Cn1c(Cl)cnc1-c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole?
The InChIKey is PTXXIYHMHVRJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c1-16-5(9)3-14-7(16)6-13-2-4(15-6)8(10,11)12/h2-3H,1H3,(H,13,15).
What are the key properties of 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole?
5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole has a molecular weight of 250.61 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole is sourced from PubChem (CID 23199629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).