(2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C24H16BrClN2O2S — CID 124577879

IUPAC(2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(COc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Br)cc1
InChIInChI=1S/C24H16BrClN2O2S/c1-14-6-8-15(9-7-14)13-30-22-17(25)10-16(11-18(22)26)12-21-23(29)28-20-5-3-2-4-19(20)27-24(28)31-21/h2-12H,13H2,1H3/b21-12-
InChIKeyORAPZSVBUMFECY-MTJSOVHGSA-N
MW511.83 g/mol
LogP5.76
Rot. Bonds4

About (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 124577879) has the molecular formula C24H16BrClN2O2S and a molecular weight of 511.83 g/mol. Its IUPAC name is (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID124577879
Molecular FormulaC24H16BrClN2O2S
Molecular Weight511.83 g/mol
Exact Mass509.98
IUPAC Name(2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(COc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Br)cc1
InChIInChI=1S/C24H16BrClN2O2S/c1-14-6-8-15(9-7-14)13-30-22-17(25)10-16(11-18(22)26)12-21-23(29)28-20-5-3-2-4-19(20)27-24(28)31-21/h2-12H,13H2,1H3/b21-12-
InChIKeyORAPZSVBUMFECY-MTJSOVHGSA-N
XLogP5.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.83
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3326145
(2Z)-2-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124547775
(2Z)-2-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124631443
(2Z)-2-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124582632
(2Z)-2-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 126397356
2-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2904609
2-[[3-bromo-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3366070
2-[[3,5-dichloro-4-(2-phenoxyethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889460
(2Z)-2-[[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124603203
(2Z)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 46498355
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23766527
2-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2869406

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 124577879) is (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccc(COc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Br)cc1.
What is the InChIKey of (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is ORAPZSVBUMFECY-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H16BrClN2O2S/c1-14-6-8-15(9-7-14)13-30-22-17(25)10-16(11-18(22)26)12-21-23(29)28-20-5-3-2-4-19(20)27-24(28)31-21/h2-12H,13H2,1H3/b21-12-.
What are the key properties of (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 511.83 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 124577879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).