(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H15N3OS — CID 17264726

IUPAC(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21
InChIInChI=1S/C20H15N3OS/c1-2-22-12-13(14-7-3-5-9-16(14)22)11-18-19(24)23-17-10-6-4-8-15(17)21-20(23)25-18/h3-12H,2H2,1H3/b18-11-
InChIKeyWBBBIDPIGKJSLK-WQRHYEAKSA-N
MW345.43 g/mol
LogP3.43
Rot. Bonds2

About (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 17264726) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID17264726
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21
InChIInChI=1S/C20H15N3OS/c1-2-22-12-13(14-7-3-5-9-16(14)22)11-18-19(24)23-17-10-6-4-8-15(17)21-20(23)25-18/h3-12H,2H2,1H3/b18-11-
InChIKeyWBBBIDPIGKJSLK-WQRHYEAKSA-N
XLogP3.43
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2895873
2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3662543
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
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 612337
(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124536900
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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 17264726) is (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21.
What is the InChIKey of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is WBBBIDPIGKJSLK-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-2-22-12-13(14-7-3-5-9-16(14)22)11-18-19(24)23-17-10-6-4-8-15(17)21-20(23)25-18/h3-12H,2H2,1H3/b18-11-.
What are the key properties of (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 345.43 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 17264726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).