5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C16H8Cl2N4O2S — CID 135709824

IUPAC5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\ccc(=C3N=c4cc(Cl)c(Cl)cc4=N3)nc2)s1
InChIInChI=1S/C16H8Cl2N4O2S/c17-8-4-11-12(5-9(8)18)21-14(20-11)10-2-1-7(6-19-10)3-13-15(23)22-16(24)25-13/h1-6,23H,(H,22,24)/b7-3+
InChIKeyDBOVDONENTUKHC-XVNBXDOJSA-N
MW391.24 g/mol
LogP0.69
Rot. Bonds1

About 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 135709824) has the molecular formula C16H8Cl2N4O2S and a molecular weight of 391.24 g/mol. Its IUPAC name is 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID135709824
Molecular FormulaC16H8Cl2N4O2S
Molecular Weight391.24 g/mol
Exact Mass389.97
IUPAC Name5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\ccc(=C3N=c4cc(Cl)c(Cl)cc4=N3)nc2)s1
InChIInChI=1S/C16H8Cl2N4O2S/c17-8-4-11-12(5-9(8)18)21-14(20-11)10-2-1-7(6-19-10)3-13-15(23)22-16(24)25-13/h1-6,23H,(H,22,24)/b7-3+
InChIKeyDBOVDONENTUKHC-XVNBXDOJSA-N
XLogP0.69
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one 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-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 135709824) is 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=c2\ccc(=C3N=c4cc(Cl)c(Cl)cc4=N3)nc2)s1.
What is the InChIKey of 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is DBOVDONENTUKHC-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H8Cl2N4O2S/c17-8-4-11-12(5-9(8)18)21-14(20-11)10-2-1-7(6-19-10)3-13-15(23)22-16(24)25-13/h1-6,23H,(H,22,24)/b7-3+.
What are the key properties of 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 391.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[6-(5,6-dichlorobenzimidazol-2-ylidene)-3-pyridinylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135709824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).