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

C22H15BrN4 — CID 4262171

IUPAC2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESBrc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H15BrN4/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)
InChIKeySCOOEICZZQAXBL-UHFFFAOYSA-N
MW415.29 g/mol
LogP5.85
Rot. Bonds3

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

2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 4262171) has the molecular formula C22H15BrN4 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID4262171
Molecular FormulaC22H15BrN4
Molecular Weight415.29 g/mol
Exact Mass414.05
IUPAC Name2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESBrc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H15BrN4/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)
InChIKeySCOOEICZZQAXBL-UHFFFAOYSA-N
XLogP5.85
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.29
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole 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 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 4262171) is 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is SCOOEICZZQAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4/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-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 415.29 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 4262171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).