2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C18H12N2OS — CID 129449530

IUPAC2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=C/C=C\c2ccccc2)sc2nc3ccccc3n12
InChIInChI=1S/C18H12N2OS/c21-17-16(12-6-9-13-7-2-1-3-8-13)22-18-19-14-10-4-5-11-15(14)20(17)18/h1-12H/b9-6-,16-12?
InChIKeyWGBLZAGEQKLISW-NJCCHOHYSA-N
MW304.37 g/mol
LogP3.12
Rot. Bonds2

About 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 129449530) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID129449530
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=C/C=C\c2ccccc2)sc2nc3ccccc3n12
InChIInChI=1S/C18H12N2OS/c21-17-16(12-6-9-13-7-2-1-3-8-13)22-18-19-14-10-4-5-11-15(14)20(17)18/h1-12H/b9-6-,16-12?
InChIKeyWGBLZAGEQKLISW-NJCCHOHYSA-N
XLogP3.12
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(Z)-3-phenylprop-2-enylidene]-[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-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 4201247
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3126656
4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
CID 92967136
2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3550266
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2289829
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 682128
(2Z)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2065735
ethane;(2Z)-2-[[3-(2-phenoxyethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 123140194
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
2-[(3-bromo-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1250170
(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
2-[(4-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4264144

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 129449530) is 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1c(=C/C=C\c2ccccc2)sc2nc3ccccc3n12.
What is the InChIKey of 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is WGBLZAGEQKLISW-NJCCHOHYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17-16(12-6-9-13-7-2-1-3-8-13)22-18-19-14-10-4-5-11-15(14)20(17)18/h1-12H/b9-6-,16-12?.
What are the key properties of 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 304.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 129449530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).