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

C16H10Cl2N4O2S — CID 136653551

IUPAC5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCn1c(=Cc2sc(=O)[nH]c2O)ccc1=C1N=c2cc(Cl)c(Cl)cc2=N1
InChIInChI=1S/C16H10Cl2N4O2S/c1-22-7(4-13-15(23)21-16(24)25-13)2-3-12(22)14-19-10-5-8(17)9(18)6-11(10)20-14/h2-6,23H,1H3,(H,21,24)
InChIKeyPQDQUVAPXRXELR-UHFFFAOYSA-N
MW393.26 g/mol
LogP0.63
Rot. Bonds1

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

5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 136653551) has the molecular formula C16H10Cl2N4O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID136653551
Molecular FormulaC16H10Cl2N4O2S
Molecular Weight393.26 g/mol
Exact Mass391.99
IUPAC Name5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCn1c(=Cc2sc(=O)[nH]c2O)ccc1=C1N=c2cc(Cl)c(Cl)cc2=N1
InChIInChI=1S/C16H10Cl2N4O2S/c1-22-7(4-13-15(23)21-16(24)25-13)2-3-12(22)14-19-10-5-8(17)9(18)6-11(10)20-14/h2-6,23H,1H3,(H,21,24)
InChIKeyPQDQUVAPXRXELR-UHFFFAOYSA-N
XLogP0.63
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]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-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 136653551) is 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is Cn1c(=Cc2sc(=O)[nH]c2O)ccc1=C1N=c2cc(Cl)c(Cl)cc2=N1.
What is the InChIKey of 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is PQDQUVAPXRXELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2S/c1-22-7(4-13-15(23)21-16(24)25-13)2-3-12(22)14-19-10-5-8(17)9(18)6-11(10)20-14/h2-6,23H,1H3,(H,21,24).
What are the key properties of 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 393.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5,6-dichlorobenzimidazol-2-ylidene)-1-methylpyrrol-2-ylidene]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136653551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).