2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole

C19H12ClN3O2 — CID 67701808

IUPAC2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1-c1ccccc1
InChIInChI=1S/C19H12ClN3O2/c20-14-8-6-13(7-9-14)19-21-15-10-11-16(23(24)25)17(18(15)22-19)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKeyYIKMHHQSWBTKFZ-UHFFFAOYSA-N
MW349.78 g/mol
LogP5.46
Rot. Bonds3

About 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole

2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole (PubChem CID 67701808) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole
PubChem CID67701808
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1-c1ccccc1
InChIInChI=1S/C19H12ClN3O2/c20-14-8-6-13(7-9-14)19-21-15-10-11-16(23(24)25)17(18(15)22-19)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKeyYIKMHHQSWBTKFZ-UHFFFAOYSA-N
XLogP5.46
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.78
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-5-nitro-4-phenyl-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-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole (CID 67701808) is 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole is O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole?
The InChIKey is YIKMHHQSWBTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-14-8-6-13(7-9-14)19-21-15-10-11-16(23(24)25)17(18(15)22-19)12-4-2-1-3-5-12/h1-11H,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole?
2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole has a molecular weight of 349.78 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole is sourced from PubChem (CID 67701808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).