5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C21H17N3OS — CID 1001420

IUPAC5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc(C)c2nc3sc(=Cc4c(C)[nH]c5ccccc45)c(=O)n3c2c1
InChIInChI=1S/C21H17N3OS/c1-11-8-12(2)19-17(9-11)24-20(25)18(26-21(24)23-19)10-15-13(3)22-16-7-5-4-6-14(15)16/h4-10,22H,1-3H3
InChIKeyAUNKATACGUZFNL-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.86
Rot. Bonds1

About 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 1001420) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID1001420
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc(C)c2nc3sc(=Cc4c(C)[nH]c5ccccc45)c(=O)n3c2c1
InChIInChI=1S/C21H17N3OS/c1-11-8-12(2)19-17(9-11)24-20(25)18(26-21(24)23-19)10-15-13(3)22-16-7-5-4-6-14(15)16/h4-10,22H,1-3H3
InChIKeyAUNKATACGUZFNL-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4Z)-10-bromo-4-[(2-methyl-1H-indol-3-yl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
CID 1001446
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2054773
(2E)-2-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5343988
2-[(2-hydroxy-3-nitrophenyl)methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3269481
5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2902320
2-[(2,4-dichloro-5-nitrophenyl)methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4571602
(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126043182
2-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2860637
6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 3127309
5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 699149
(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2055355
methyl (2Z,5S)-7-ethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126056742

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 1001420) is 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc(C)c2nc3sc(=Cc4c(C)[nH]c5ccccc45)c(=O)n3c2c1.
What is the InChIKey of 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is AUNKATACGUZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-11-8-12(2)19-17(9-11)24-20(25)18(26-21(24)23-19)10-15-13(3)22-16-7-5-4-6-14(15)16/h4-10,22H,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 359.45 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 1001420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).