2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C29H19N3OS — CID 3662543

IUPAC2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C29H19N3OS/c33-28-27(34-29-30-24-13-4-6-15-26(24)32(28)29)16-21-18-31(25-14-5-3-12-23(21)25)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-16,18H,17H2
InChIKeyDXIVVMQNQBYAGU-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.61
Rot. Bonds3

About 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 3662543) has the molecular formula C29H19N3OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID3662543
Molecular FormulaC29H19N3OS
Molecular Weight457.56 g/mol
Exact Mass457.12
IUPAC Name2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C29H19N3OS/c33-28-27(34-29-30-24-13-4-6-15-26(24)32(28)29)16-21-18-31(25-14-5-3-12-23(21)25)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-16,18H,17H2
InChIKeyDXIVVMQNQBYAGU-UHFFFAOYSA-N
XLogP5.61
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]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-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2895873
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 17264726
2-[[1-[3-(4-methoxyphenoxy)propyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3825026
2-[[1-[(2S)-2-methyl-3-phenoxypropyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 129442050
2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2920073
(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 126398740
(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1005041
(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
(5E)-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 50872323
2-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889151
(2Z)-2-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124538123
phenyl 7-methyl-2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3649866

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 3662543) is 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1c(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)sc2nc3ccccc3n12.
What is the InChIKey of 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is DXIVVMQNQBYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3OS/c33-28-27(34-29-30-24-13-4-6-15-26(24)32(28)29)16-21-18-31(25-14-5-3-12-23(21)25)17-20-10-7-9-19-8-1-2-11-22(19)20/h1-16,18H,17H2.
What are the key properties of 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 457.56 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 3662543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).