2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C32H22Cl2N2O3S — CID 3943040

IUPAC2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C32H22Cl2N2O3S/c1-38-27-16-20(12-15-26(27)39-19-23-13-14-24(33)18-25(23)34)17-28-31(37)36-30(22-10-6-3-7-11-22)29(35-32(36)40-28)21-8-4-2-5-9-21/h2-18H,19H2,1H3
InChIKeyPAXSEHXQEUKLSB-UHFFFAOYSA-N
MW585.51 g/mol
LogP7.53
Rot. Bonds7

About 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 3943040) has the molecular formula C32H22Cl2N2O3S and a molecular weight of 585.51 g/mol. Its IUPAC name is 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID3943040
Molecular FormulaC32H22Cl2N2O3S
Molecular Weight585.51 g/mol
Exact Mass584.07
IUPAC Name2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C32H22Cl2N2O3S/c1-38-27-16-20(12-15-26(27)39-19-23-13-14-24(33)18-25(23)34)17-28-31(37)36-30(22-10-6-3-7-11-22)29(35-32(36)40-28)21-8-4-2-5-9-21/h2-18H,19H2,1H3
InChIKeyPAXSEHXQEUKLSB-UHFFFAOYSA-N
XLogP7.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.51
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 2869267
(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 7241004
(2E)-2-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5286989
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2869203
2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2872335
(2Z)-2-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124529371
2-[[2-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 1281273
(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2252436
5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3893102
2-[2-methoxy-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid
CID 2872244
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23766527

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (CID 3943040) is 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is COc1cc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is PAXSEHXQEUKLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl2N2O3S/c1-38-27-16-20(12-15-26(27)39-19-23-13-14-24(33)18-25(23)34)17-28-31(37)36-30(22-10-6-3-7-11-22)29(35-32(36)40-28)21-8-4-2-5-9-21/h2-18H,19H2,1H3.
What are the key properties of 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 585.51 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 3943040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).