5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione

C19H10Cl4N2O2S — CID 10344727

IUPAC5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione
SMILESS=c1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
InChIInChI=1S/C19H10Cl4N2O2S/c20-9-3-1-5-13(17(9)22)26-15-7-11-12(25-19(28)24-11)8-16(15)27-14-6-2-4-10(21)18(14)23/h1-8H,(H2,24,25,28)
InChIKeyAYAVMEWEYPDNDO-UHFFFAOYSA-N
MW472.18 g/mol
LogP8.42
Rot. Bonds4

About 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione

5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione (PubChem CID 10344727) has the molecular formula C19H10Cl4N2O2S and a molecular weight of 472.18 g/mol. Its IUPAC name is 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione
PubChem CID10344727
Molecular FormulaC19H10Cl4N2O2S
Molecular Weight472.18 g/mol
Exact Mass469.92
IUPAC Name5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione
SMILESS=c1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
InChIInChI=1S/C19H10Cl4N2O2S/c20-9-3-1-5-13(17(9)22)26-15-7-11-12(25-19(28)24-11)8-16(15)27-14-6-2-4-10(21)18(14)23/h1-8H,(H2,24,25,28)
InChIKeyAYAVMEWEYPDNDO-UHFFFAOYSA-N
XLogP8.42
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.18
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione (CID 10344727) is 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione is S=c1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1.
What is the InChIKey of 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is AYAVMEWEYPDNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4N2O2S/c20-9-3-1-5-13(17(9)22)26-15-7-11-12(25-19(28)24-11)8-16(15)27-14-6-2-4-10(21)18(14)23/h1-8H,(H2,24,25,28).
What are the key properties of 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione?
5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 472.18 g/mol, XLogP of 8.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 10344727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).