5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol

C23H16N4OS — CID 137081367

IUPAC5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
SMILESOc1c(C=c2ccc3c(c2)N=CN=3)s/c(=N\c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H16N4OS/c28-22-21(14-16-11-12-19-20(13-16)25-15-24-19)29-23(26-17-7-3-1-4-8-17)27(22)18-9-5-2-6-10-18/h1-15,28H/b16-14?,26-23-
InChIKeyZSZYGPSAJIUMOM-XZTXUZLJSA-N
MW396.48 g/mol
LogP3.60
Rot. Bonds3

About 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol

5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 137081367) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
PubChem CID137081367
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC Name5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
SMILESOc1c(C=c2ccc3c(c2)N=CN=3)s/c(=N\c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H16N4OS/c28-22-21(14-16-11-12-19-20(13-16)25-15-24-19)29-23(26-17-7-3-1-4-8-17)27(22)18-9-5-2-6-10-18/h1-15,28H/b16-14?,26-23-
InChIKeyZSZYGPSAJIUMOM-XZTXUZLJSA-N
XLogP3.60
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?
The IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol (CID 137081367) is 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?
The canonical SMILES for 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol is Oc1c(C=c2ccc3c(c2)N=CN=3)s/c(=N\c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?
The InChIKey is ZSZYGPSAJIUMOM-XZTXUZLJSA-N. The full InChI is InChI=1S/C23H16N4OS/c28-22-21(14-16-11-12-19-20(13-16)25-15-24-19)29-23(26-17-7-3-1-4-8-17)27(22)18-9-5-2-6-10-18/h1-15,28H/b16-14?,26-23-.
What are the key properties of 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?
5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 396.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-5-ylidenemethyl)-3-phenyl-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 137081367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).