2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole

C26H18N4O2S — CID 101498548

IUPAC2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
SMILESO=S(=O)(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C26H18N4O2S/c31-33(32,19-11-13-21-23(15-19)29-25(27-21)17-7-3-1-4-8-17)20-12-14-22-24(16-20)30-26(28-22)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyAOHJRIWPLLGRMM-UHFFFAOYSA-N
MW450.52 g/mol
LogP5.61
Rot. Bonds4

About 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole

2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole (PubChem CID 101498548) has the molecular formula C26H18N4O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
PubChem CID101498548
Molecular FormulaC26H18N4O2S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
SMILESO=S(=O)(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C26H18N4O2S/c31-33(32,19-11-13-21-23(15-19)29-25(27-21)17-7-3-1-4-8-17)20-12-14-22-24(16-20)30-26(28-22)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyAOHJRIWPLLGRMM-UHFFFAOYSA-N
XLogP5.61
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sulfino 2-phenyl-3H-benzimidazole-5-sulfonate
CID 137408588
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
cyclohexa-2,4-dien-1-one;2-phenyl-3H-benzimidazole-5-sulfonic acid
CID 87359736
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
6-[(2-tert-butyl-3H-benzimidazol-5-yl)sulfonyl]-2-(4-tert-butylphenyl)-1H-benzimidazole
CID 163984148
N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 3728615
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The IUPAC name of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole (CID 101498548) is 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole.
What is the SMILES notation for 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The canonical SMILES for 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole is O=S(=O)(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The InChIKey is AOHJRIWPLLGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2S/c31-33(32,19-11-13-21-23(15-19)29-25(27-21)17-7-3-1-4-8-17)20-12-14-22-24(16-20)30-26(28-22)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30).
What are the key properties of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole has a molecular weight of 450.52 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole is sourced from PubChem (CID 101498548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).