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

C26H19N3OS — CID 2895873

IUPAC2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccccc1Cn1cc(C=c2sc3nc4ccccc4n3c2=O)c2ccccc21
InChIInChI=1S/C26H19N3OS/c1-17-8-2-3-9-18(17)15-28-16-19(20-10-4-6-12-22(20)28)14-24-25(30)29-23-13-7-5-11-21(23)27-26(29)31-24/h2-14,16H,15H2,1H3
InChIKeySQZPKDJIKQBMET-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.77
Rot. Bonds3

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

2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2895873) has the molecular formula C26H19N3OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2895873
Molecular FormulaC26H19N3OS
Molecular Weight421.53 g/mol
Exact Mass421.12
IUPAC Name2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccccc1Cn1cc(C=c2sc3nc4ccccc4n3c2=O)c2ccccc21
InChIInChI=1S/C26H19N3OS/c1-17-8-2-3-9-18(17)15-28-16-19(20-10-4-6-12-22(20)28)14-24-25(30)29-23-13-7-5-11-21(23)27-26(29)31-24/h2-14,16H,15H2,1H3
InChIKeySQZPKDJIKQBMET-UHFFFAOYSA-N
XLogP4.77
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3662543
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 17264726
(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 126398740
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-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889151
2-[(7-ethyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2920073
(2Z)-2-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2205771
(2Z)-2-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124538123
(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
2-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3792512
(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1005041

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2895873) is 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccccc1Cn1cc(C=c2sc3nc4ccccc4n3c2=O)c2ccccc21.
What is the InChIKey of 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is SQZPKDJIKQBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3OS/c1-17-8-2-3-9-18(17)15-28-16-19(20-10-4-6-12-22(20)28)14-24-25(30)29-23-13-7-5-11-21(23)27-26(29)31-24/h2-14,16H,15H2,1H3.
What are the key properties of 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 421.53 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2895873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).