2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole

C23H14ClF3N4 — CID 122189093

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C23H14ClF3N4/c24-16-9-6-14(7-10-16)21-18(13-31(30-21)17-4-2-1-3-5-17)22-28-19-11-8-15(23(25,26)27)12-20(19)29-22/h1-13H,(H,28,29)
InChIKeyKGIAJPUMJYQEFZ-UHFFFAOYSA-N
MW438.84 g/mol
LogP6.75
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 122189093) has the molecular formula C23H14ClF3N4 and a molecular weight of 438.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID122189093
Molecular FormulaC23H14ClF3N4
Molecular Weight438.84 g/mol
Exact Mass438.09
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C23H14ClF3N4/c24-16-9-6-14(7-10-16)21-18(13-31(30-21)17-4-2-1-3-5-17)22-28-19-11-8-15(23(25,26)27)12-20(19)29-22/h1-13H,(H,28,29)
InChIKeyKGIAJPUMJYQEFZ-UHFFFAOYSA-N
XLogP6.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.84
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Liarozole
CID 60652
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
Liarozole hydrochloride
CID 71454
(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
CID 139392711
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
CID 16192409
7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538795
Pyrazolo[1,5-b]pyridazine deriv. 83
CID 6539425
4-[4-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 127044444
(2E)-3-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 5292247
2-[4-(3-Chloropyridin-2-yl)piperazin-1-yl]-6-trifluoromethyl-1H-benzoimidazole
CID 11710679
6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole
CID 53379085
2-(2-Chloro-6-fluoro-phenyl)-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71603470

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 122189093) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is KGIAJPUMJYQEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N4/c24-16-9-6-14(7-10-16)21-18(13-31(30-21)17-4-2-1-3-5-17)22-28-19-11-8-15(23(25,26)27)12-20(19)29-22/h1-13H,(H,28,29).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 438.84 g/mol, XLogP of 6.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 122189093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).