4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline

C25H20N4 — CID 175047355

IUPAC4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
SMILESNc1ccc(-c2ccc(N)cc2-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C25H20N4/c26-18-12-10-17(11-13-18)21-15-14-19(27)16-22(21)25-28-23-8-4-5-9-24(23)29(25)20-6-2-1-3-7-20/h1-16H,26-27H2
InChIKeyLMRIVKJHCRNHJK-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.52
Rot. Bonds3

About 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline

4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline (PubChem CID 175047355) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
PubChem CID175047355
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
SMILESNc1ccc(-c2ccc(N)cc2-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C25H20N4/c26-18-12-10-17(11-13-18)21-15-14-19(27)16-22(21)25-28-23-8-4-5-9-24(23)29(25)20-6-2-1-3-7-20/h1-16H,26-27H2
InChIKeyLMRIVKJHCRNHJK-UHFFFAOYSA-N
XLogP5.52
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
CID 132528735
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
4-[7-(1-phenylbenzimidazol-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]aniline
CID 163926443
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488060

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline?
The IUPAC name of 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline (CID 175047355) is 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline is Nc1ccc(-c2ccc(N)cc2-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline?
The InChIKey is LMRIVKJHCRNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c26-18-12-10-17(11-13-18)21-15-14-19(27)16-22(21)25-28-23-8-4-5-9-24(23)29(25)20-6-2-1-3-7-20/h1-16H,26-27H2.
What are the key properties of 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline?
4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline has a molecular weight of 376.46 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 175047355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).