2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole

C28H19N5 — CID 10048048

IUPAC2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5nc(-c6ccc7cc[nH]c7c6)[nH]c5c4)[nH]c3c2)cc1
InChIInChI=1S/C28H19N5/c1-2-4-17(5-3-1)19-8-10-22-25(14-19)32-28(30-22)21-9-11-23-26(16-21)33-27(31-23)20-7-6-18-12-13-29-24(18)15-20/h1-16,29H,(H,30,32)(H,31,33)
InChIKeyGEMBMADKKGROGW-UHFFFAOYSA-N
MW425.50 g/mol
LogP6.92
Rot. Bonds3

About 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole

2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole (PubChem CID 10048048) has the molecular formula C28H19N5 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
PubChem CID10048048
Molecular FormulaC28H19N5
Molecular Weight425.50 g/mol
Exact Mass425.16
IUPAC Name2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5nc(-c6ccc7cc[nH]c7c6)[nH]c5c4)[nH]c3c2)cc1
InChIInChI=1S/C28H19N5/c1-2-4-17(5-3-1)19-8-10-22-25(14-19)32-28(30-22)21-9-11-23-26(16-21)33-27(31-23)20-7-6-18-12-13-29-24(18)15-20/h1-16,29H,(H,30,32)(H,31,33)
InChIKeyGEMBMADKKGROGW-UHFFFAOYSA-N
XLogP6.92
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-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-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole (CID 10048048) is 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole is c1ccc(-c2ccc3nc(-c4ccc5nc(-c6ccc7cc[nH]c7c6)[nH]c5c4)[nH]c3c2)cc1.
What is the InChIKey of 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The InChIKey is GEMBMADKKGROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5/c1-2-4-17(5-3-1)19-8-10-22-25(14-19)32-28(30-22)21-9-11-23-26(16-21)33-27(31-23)20-7-6-18-12-13-29-24(18)15-20/h1-16,29H,(H,30,32)(H,31,33).
What are the key properties of 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole?
2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole has a molecular weight of 425.50 g/mol, XLogP of 6.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 10048048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).