2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C18H14N2O3S — CID 3308816

IUPAC2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCOc1cc2nc3sc(=Cc4ccccc4)c(=O)n3c2cc1OC
InChIInChI=1S/C18H14N2O3S/c1-22-14-9-12-13(10-15(14)23-2)20-17(21)16(24-18(20)19-12)8-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyNXVOZKZLVPPYGK-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.47
Rot. Bonds3

About 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 3308816) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID3308816
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCOc1cc2nc3sc(=Cc4ccccc4)c(=O)n3c2cc1OC
InChIInChI=1S/C18H14N2O3S/c1-22-14-9-12-13(10-15(14)23-2)20-17(21)16(24-18(20)19-12)8-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyNXVOZKZLVPPYGK-UHFFFAOYSA-N
XLogP2.47
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2256910
(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2252436
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 847974
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1245045
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 668008
[2-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] benzoate
CID 124544960
2-[2-methoxy-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid
CID 2872244
(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 126395641
2-[[3-methoxy-4-[(2S)-2-methyl-3-phenoxypropoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 129443549
(2Z)-2-[[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 40730835
(2Z)-2-[[3-methoxy-4-(2-methyl-3-phenoxypropoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6029121

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 3308816) is 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one is COc1cc2nc3sc(=Cc4ccccc4)c(=O)n3c2cc1OC.
What is the InChIKey of 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is NXVOZKZLVPPYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-22-14-9-12-13(10-15(14)23-2)20-17(21)16(24-18(20)19-12)8-11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 338.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 3308816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).