1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole

C35H25FN4 — CID 22032440

IUPAC1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole
SMILESFc1ccc(-n2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C35H25FN4/c36-31-17-19-32(20-18-31)39-25-37-33-21-16-26(22-34(33)39)27-23-38-40(24-27)35(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H
InChIKeyGDHRQGLVCLBYSA-UHFFFAOYSA-N
MW520.61 g/mol
LogP7.87
Rot. Bonds6

About 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole

1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole (PubChem CID 22032440) has the molecular formula C35H25FN4 and a molecular weight of 520.61 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole
PubChem CID22032440
Molecular FormulaC35H25FN4
Molecular Weight520.61 g/mol
Exact Mass520.21
IUPAC Name1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole
SMILESFc1ccc(-n2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C35H25FN4/c36-31-17-19-32(20-18-31)39-25-37-33-21-16-26(22-34(33)39)27-23-38-40(24-27)35(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H
InChIKeyGDHRQGLVCLBYSA-UHFFFAOYSA-N
XLogP7.87
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)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 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole?
The IUPAC name of 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole (CID 22032440) is 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole is Fc1ccc(-n2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole?
The InChIKey is GDHRQGLVCLBYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN4/c36-31-17-19-32(20-18-31)39-25-37-33-21-16-26(22-34(33)39)27-23-38-40(24-27)35(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H.
What are the key properties of 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole?
1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole has a molecular weight of 520.61 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-(1-tritylpyrazol-4-yl)benzimidazole is sourced from PubChem (CID 22032440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).