5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C26H19N3OS — CID 2902320

IUPAC5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cccc2c1nc1sc(=Cc3c(-c4ccccc4)n(C)c4ccccc34)c(=O)n12
InChIInChI=1S/C26H19N3OS/c1-16-9-8-14-21-23(16)27-26-29(21)25(30)22(31-26)15-19-18-12-6-7-13-20(18)28(2)24(19)17-10-4-3-5-11-17/h3-15H,1-2H3
InChIKeyUJKZTKXKKMZXRR-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.92
Rot. Bonds2

About 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2902320) has the molecular formula C26H19N3OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2902320
Molecular FormulaC26H19N3OS
Molecular Weight421.53 g/mol
Exact Mass421.12
IUPAC Name5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cccc2c1nc1sc(=Cc3c(-c4ccccc4)n(C)c4ccccc34)c(=O)n12
InChIInChI=1S/C26H19N3OS/c1-16-9-8-14-21-23(16)27-26-29(21)25(30)22(31-26)15-19-18-12-6-7-13-20(18)28(2)24(19)17-10-4-3-5-11-17/h3-15H,1-2H3
InChIKeyUJKZTKXKKMZXRR-UHFFFAOYSA-N
XLogP4.92
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 1362865
2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 2880483
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 660951
9-(((1-methyl-1H-imidazol-2-yl)sulfanyl)acetyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 750439
2-(4-Iodobenzylidene)(1,3)thiazolo(3,2-A)benzimidazol-3(2H)-one
CID 5507324
2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone
CID 704124
(2E)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1276569
2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 2263502
2-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 3438551
2-[(1-Phenylpyrrol-2-yl)methylene]-1,3-thiazolidino[3,2-a]benzimidazol-3-one
CID 674840
(2Z)-2-(1H-indol-3-ylmethylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
CID 702100
Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-(1-naphthylmethylene)-
CID 825616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2902320) is 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cccc2c1nc1sc(=Cc3c(-c4ccccc4)n(C)c4ccccc34)c(=O)n12.
What is the InChIKey of 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is UJKZTKXKKMZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3OS/c1-16-9-8-14-21-23(16)27-26-29(21)25(30)22(31-26)15-19-18-12-6-7-13-20(18)28(2)24(19)17-10-4-3-5-11-17/h3-15H,1-2H3.
What are the key properties of 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 421.53 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2902320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).