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

C18H14N2OS — CID 2055384

IUPAC(2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc(C)c2nc3s/c(=C/c4ccccc4)c(=O)n3c2c1
InChIInChI=1S/C18H14N2OS/c1-11-8-12(2)16-14(9-11)20-17(21)15(22-18(20)19-16)10-13-6-4-3-5-7-13/h3-10H,1-2H3/b15-10+
InChIKeyNWQHWMXFZYTJDR-XNTDXEJSSA-N
MW306.39 g/mol
LogP3.07
Rot. Bonds1

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

(2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2055384) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2055384
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name(2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc(C)c2nc3s/c(=C/c4ccccc4)c(=O)n3c2c1
InChIInChI=1S/C18H14N2OS/c1-11-8-12(2)16-14(9-11)20-17(21)15(22-18(20)19-16)10-13-6-4-3-5-7-13/h3-10H,1-2H3/b15-10+
InChIKeyNWQHWMXFZYTJDR-XNTDXEJSSA-N
XLogP3.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2055384) is (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc(C)c2nc3s/c(=C/c4ccccc4)c(=O)n3c2c1.
What is the InChIKey of (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is NWQHWMXFZYTJDR-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-11-8-12(2)16-14(9-11)20-17(21)15(22-18(20)19-16)10-13-6-4-3-5-7-13/h3-10H,1-2H3/b15-10+.
What are the key properties of (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 306.39 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2055384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).