2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride

C22H20Cl3F3N4 — CID 159076041

IUPAC2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride
SMILESCl.Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2c(Cl)cc(-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C22H19Cl2F3N4.ClH/c1-21(2,3)19-16(24)18(31(4)30-19)20-28-15-10-11(9-14(23)17(15)29-20)12-7-5-6-8-13(12)22(25,26)27;/h5-10H,1-4H3,(H,28,29);1H
InChIKeyKAGLXIBFQJQFGN-UHFFFAOYSA-N
MW503.78 g/mol
LogP7.68
Rot. Bonds2

About 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride

2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride (PubChem CID 159076041) has the molecular formula C22H20Cl3F3N4 and a molecular weight of 503.78 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride
PubChem CID159076041
Molecular FormulaC22H20Cl3F3N4
Molecular Weight503.78 g/mol
Exact Mass502.07
IUPAC Name2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride
SMILESCl.Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2c(Cl)cc(-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C22H19Cl2F3N4.ClH/c1-21(2,3)19-16(24)18(31(4)30-19)20-28-15-10-11(9-14(23)17(15)29-20)12-7-5-6-8-13(12)22(25,26)27;/h5-10H,1-4H3,(H,28,29);1H
InChIKeyKAGLXIBFQJQFGN-UHFFFAOYSA-N
XLogP7.68
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.78
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride 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

2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 137253019
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 137210026
sodium;2-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-4-chloro-6-[2-fluoro-6-(trifluoromethyl)phenyl]-1H-benzimidazole;hydride
CID 173464018
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-methoxy-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine;methanesulfonic acid
CID 137253026
benzenesulfonic acid;2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 137253015
sodium 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-7-chloro-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-1-ide
CID 58425428
2-tert-butyl-4-[4-chloro-6-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]-5-methyl-1,3-oxazole;hydrochloride
CID 157189794
3-[4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2-methylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,1'-cyclohexane];hydrochloride
CID 137253011
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 82940862
CID 88851518
CID 88851518
3-tert-butyl-5-[6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carbonitrile;methanesulfonic acid
CID 137253028
sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 173463962

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride (CID 159076041) is 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride is Cl.Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2c(Cl)cc(-c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride?
The InChIKey is KAGLXIBFQJQFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4.ClH/c1-21(2,3)19-16(24)18(31(4)30-19)20-28-15-10-11(9-14(23)17(15)29-20)12-7-5-6-8-13(12)22(25,26)27;/h5-10H,1-4H3,(H,28,29);1H.
What are the key properties of 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride?
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride has a molecular weight of 503.78 g/mol, XLogP of 7.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 159076041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).