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

C18H11N3OS — CID 702100

IUPAC(2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2c[nH]c3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C18H11N3OS/c22-17-16(9-11-10-19-13-6-2-1-5-12(11)13)23-18-20-14-7-3-4-8-15(14)21(17)18/h1-10,19H/b16-9-
InChIKeyNBMUWXUNWZTERF-SXGWCWSVSA-N
MW317.37 g/mol
LogP2.94
Rot. Bonds1

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

(2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 702100) has the molecular formula C18H11N3OS and a molecular weight of 317.37 g/mol. Its IUPAC name is (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID702100
Molecular FormulaC18H11N3OS
Molecular Weight317.37 g/mol
Exact Mass317.06
IUPAC Name(2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2c[nH]c3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C18H11N3OS/c22-17-16(9-11-10-19-13-6-2-1-5-12(11)13)23-18-20-14-7-3-4-8-15(14)21(17)18/h1-10,19H/b16-9-
InChIKeyNBMUWXUNWZTERF-SXGWCWSVSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 702100) is (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2c[nH]c3ccccc23)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is NBMUWXUNWZTERF-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H11N3OS/c22-17-16(9-11-10-19-13-6-2-1-5-12(11)13)23-18-20-14-7-3-4-8-15(14)21(17)18/h1-10,19H/b16-9-.
What are the key properties of (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 317.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-indol-3-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 702100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).