(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H12N2OS — CID 825616

IUPAC(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cccc3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C20H12N2OS/c23-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)24-20-21-16-10-3-4-11-17(16)22(19)20/h1-12H/b18-12-
InChIKeyLSMSWMATNWABID-PDGQHHTCSA-N
MW328.40 g/mol
LogP3.61
Rot. Bonds1

About (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 825616) has the molecular formula C20H12N2OS and a molecular weight of 328.40 g/mol. Its IUPAC name is (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID825616
Molecular FormulaC20H12N2OS
Molecular Weight328.40 g/mol
Exact Mass328.07
IUPAC Name(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cccc3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C20H12N2OS/c23-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)24-20-21-16-10-3-4-11-17(16)22(19)20/h1-12H/b18-12-
InChIKeyLSMSWMATNWABID-PDGQHHTCSA-N
XLogP3.61
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 825616) is (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2cccc3ccccc23)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is LSMSWMATNWABID-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H12N2OS/c23-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)24-20-21-16-10-3-4-11-17(16)22(19)20/h1-12H/b18-12-.
What are the key properties of (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 328.40 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 825616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).