(2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C18H13BrN2OS — CID 5345909

IUPAC(2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2c(nc3s/c(=C/c4ccccc4)c(=O)n32)c(Br)c1C
InChIInChI=1S/C18H13BrN2OS/c1-10-8-13-16(15(19)11(10)2)20-18-21(13)17(22)14(23-18)9-12-6-4-3-5-7-12/h3-9H,1-2H3/b14-9+
InChIKeyYHFCTWHZFLUKJV-NTEUORMPSA-N
MW385.29 g/mol
LogP3.84
Rot. Bonds1

About (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 5345909) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID5345909
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC Name(2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2c(nc3s/c(=C/c4ccccc4)c(=O)n32)c(Br)c1C
InChIInChI=1S/C18H13BrN2OS/c1-10-8-13-16(15(19)11(10)2)20-18-21(13)17(22)14(23-18)9-12-6-4-3-5-7-12/h3-9H,1-2H3/b14-9+
InChIKeyYHFCTWHZFLUKJV-NTEUORMPSA-N
XLogP3.84
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 5345909) is (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc2c(nc3s/c(=C/c4ccccc4)c(=O)n32)c(Br)c1C.
What is the InChIKey of (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is YHFCTWHZFLUKJV-NTEUORMPSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c1-10-8-13-16(15(19)11(10)2)20-18-21(13)17(22)14(23-18)9-12-6-4-3-5-7-12/h3-9H,1-2H3/b14-9+.
What are the key properties of (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 385.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-5-bromo-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 5345909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).