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

C22H15ClN4 — CID 122189088

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
InChIKeyAYJWEYGACPJTGR-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.74
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 122189088) has the molecular formula C22H15ClN4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID122189088
Molecular FormulaC22H15ClN4
Molecular Weight370.84 g/mol
Exact Mass370.10
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
InChIKeyAYJWEYGACPJTGR-UHFFFAOYSA-N
XLogP5.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.74
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
2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Aloisine B
CID 6538793
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538807
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-(2-phenylpropan-2-yl)-1H-imidazol-4-yl)-1H-pyrazole
CID 11755189

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 122189088) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is AYJWEYGACPJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 370.84 g/mol, XLogP of 5.74, 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]-1H-benzimidazole is sourced from PubChem (CID 122189088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).