5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole

C14H6Cl4N4S2 — CID 118428722

IUPAC5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
SMILESClc1cc2nc(SSc3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]c2cc1Cl
InChIInChI=1S/C14H6Cl4N4S2/c15-5-1-9-10(2-6(5)16)20-13(19-9)23-24-14-21-11-3-7(17)8(18)4-12(11)22-14/h1-4H,(H,19,20)(H,21,22)
InChIKeyKHNUTDFCMZDGLU-UHFFFAOYSA-N
MW436.18 g/mol
LogP6.85
Rot. Bonds3

About 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole

5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole (PubChem CID 118428722) has the molecular formula C14H6Cl4N4S2 and a molecular weight of 436.18 g/mol. Its IUPAC name is 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
PubChem CID118428722
Molecular FormulaC14H6Cl4N4S2
Molecular Weight436.18 g/mol
Exact Mass433.88
IUPAC Name5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
SMILESClc1cc2nc(SSc3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]c2cc1Cl
InChIInChI=1S/C14H6Cl4N4S2/c15-5-1-9-10(2-6(5)16)20-13(19-9)23-24-14-21-11-3-7(17)8(18)4-12(11)22-14/h1-4H,(H,19,20)(H,21,22)
InChIKeyKHNUTDFCMZDGLU-UHFFFAOYSA-N
XLogP6.85
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.18
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-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 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole (CID 118428722) is 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole is Clc1cc2nc(SSc3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole?
The InChIKey is KHNUTDFCMZDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4N4S2/c15-5-1-9-10(2-6(5)16)20-13(19-9)23-24-14-21-11-3-7(17)8(18)4-12(11)22-14/h1-4H,(H,19,20)(H,21,22).
What are the key properties of 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole?
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole has a molecular weight of 436.18 g/mol, XLogP of 6.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole is sourced from PubChem (CID 118428722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).