2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one

C19H14Cl2N4O2S — CID 136648679

IUPAC2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCn1c(CO)nc2ccc(C=C3S/C(=N\c4c(Cl)cccc4Cl)NC3=O)cc21
InChIInChI=1S/C19H14Cl2N4O2S/c1-25-14-7-10(5-6-13(14)22-16(25)9-26)8-15-18(27)24-19(28-15)23-17-11(20)3-2-4-12(17)21/h2-8,26H,9H2,1H3,(H,23,24,27)
InChIKeyBIZALHQGVRBUFV-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.26
Rot. Bonds3

About 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 136648679) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID136648679
Molecular FormulaC19H14Cl2N4O2S
Molecular Weight433.32 g/mol
Exact Mass432.02
IUPAC Name2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCn1c(CO)nc2ccc(C=C3S/C(=N\c4c(Cl)cccc4Cl)NC3=O)cc21
InChIInChI=1S/C19H14Cl2N4O2S/c1-25-14-7-10(5-6-13(14)22-16(25)9-26)8-15-18(27)24-19(28-15)23-17-11(20)3-2-4-12(17)21/h2-8,26H,9H2,1H3,(H,23,24,27)
InChIKeyBIZALHQGVRBUFV-UHFFFAOYSA-N
XLogP4.26
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(cinnolin-6-ylmethylidene)-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135524001
(5E)-5-[(2-tert-butyl-3-methylbenzimidazol-5-yl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135437817
5-[[3-(cyclopropylmethyl)benzimidazol-5-yl]methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136500404
sodium;2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one;hydride
CID 173098108
2-(2,6-dichlorophenyl)imino-5-[(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 136594990
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,2,4-benzotriazine-3-carboxylic acid
CID 136648427
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylic acid
CID 136623567
ethyl 6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylate
CID 136509892
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136600364
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070
(5E)-2-(2,6-dichlorophenyl)imino-5-[[4-(dimethylamino)quinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 135435341
6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethyl-4-morpholin-4-ylquinoline-3-carboxylic acid
CID 173085696

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one (CID 136648679) is 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one is Cn1c(CO)nc2ccc(C=C3S/C(=N\c4c(Cl)cccc4Cl)NC3=O)cc21.
What is the InChIKey of 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BIZALHQGVRBUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c1-25-14-7-10(5-6-13(14)22-16(25)9-26)8-15-18(27)24-19(28-15)23-17-11(20)3-2-4-12(17)21/h2-8,26H,9H2,1H3,(H,23,24,27).
What are the key properties of 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 433.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)imino-5-[[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136648679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).