(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole

C26H16N4O4S2 — CID 10791866

IUPAC(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)=N/C(=C1\N=c3ccc(S(=O)(=O)c4ccccc4)cc3=N1)N=2
InChIInChI=1S/C26H16N4O4S2/c31-35(32,17-7-3-1-4-8-17)19-11-13-21-23(15-19)29-25(27-21)26-28-22-14-12-20(16-24(22)30-26)36(33,34)18-9-5-2-6-10-18/h1-16H/b26-25+
InChIKeyFAJTYYPJCBZQAR-OCEACIFDSA-N
MW512.57 g/mol
LogP1.68
Rot. Bonds4

About (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole

(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole (PubChem CID 10791866) has the molecular formula C26H16N4O4S2 and a molecular weight of 512.57 g/mol. Its IUPAC name is (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole.

Molecular Properties

Compound Name(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole
PubChem CID10791866
Molecular FormulaC26H16N4O4S2
Molecular Weight512.57 g/mol
Exact Mass512.06
IUPAC Name(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)=N/C(=C1\N=c3ccc(S(=O)(=O)c4ccccc4)cc3=N1)N=2
InChIInChI=1S/C26H16N4O4S2/c31-35(32,17-7-3-1-4-8-17)19-11-13-21-23(15-19)29-25(27-21)26-28-22-14-12-20(16-24(22)30-26)36(33,34)18-9-5-2-6-10-18/h1-16H/b26-25+
InChIKeyFAJTYYPJCBZQAR-OCEACIFDSA-N
XLogP1.68
TPSA117.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole?
The IUPAC name of (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole (CID 10791866) is (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole.
What is the SMILES notation for (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole?
The canonical SMILES for (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole is O=S(=O)(c1ccccc1)c1ccc2c(c1)=N/C(=C1\N=c3ccc(S(=O)(=O)c4ccccc4)cc3=N1)N=2.
What is the InChIKey of (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole?
The InChIKey is FAJTYYPJCBZQAR-OCEACIFDSA-N. The full InChI is InChI=1S/C26H16N4O4S2/c31-35(32,17-7-3-1-4-8-17)19-11-13-21-23(15-19)29-25(27-21)26-28-22-14-12-20(16-24(22)30-26)36(33,34)18-9-5-2-6-10-18/h1-16H/b26-25+.
What are the key properties of (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole?
(2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole has a molecular weight of 512.57 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-(benzenesulfonyl)-2-[5-(benzenesulfonyl)benzimidazol-2-ylidene]benzimidazole is sourced from PubChem (CID 10791866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).