4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole

C25H19N5OS2 — CID 3322173

IUPAC4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)c(CSc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C25H19N5OS2/c1-2-8-16(9-3-1)23-26-21(14-32-24-27-17-10-4-5-11-18(17)28-24)22(31-23)15-33-25-29-19-12-6-7-13-20(19)30-25/h1-13H,14-15H2,(H,27,28)(H,29,30)
InChIKeyAQIUHVHPTHYAFK-UHFFFAOYSA-N
MW469.60 g/mol
LogP6.68
Rot. Bonds7

About 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole

4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole (PubChem CID 3322173) has the molecular formula C25H19N5OS2 and a molecular weight of 469.60 g/mol. Its IUPAC name is 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
PubChem CID3322173
Molecular FormulaC25H19N5OS2
Molecular Weight469.60 g/mol
Exact Mass469.10
IUPAC Name4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)c(CSc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C25H19N5OS2/c1-2-8-16(9-3-1)23-26-21(14-32-24-27-17-10-4-5-11-18(17)28-24)22(31-23)15-33-25-29-19-12-6-7-13-20(19)30-25/h1-13H,14-15H2,(H,27,28)(H,29,30)
InChIKeyAQIUHVHPTHYAFK-UHFFFAOYSA-N
XLogP6.68
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole (CID 3322173) is 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole is c1ccc(-c2nc(CSc3nc4ccccc4[nH]3)c(CSc3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The InChIKey is AQIUHVHPTHYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS2/c1-2-8-16(9-3-1)23-26-21(14-32-24-27-17-10-4-5-11-18(17)28-24)22(31-23)15-33-25-29-19-12-6-7-13-20(19)30-25/h1-13H,14-15H2,(H,27,28)(H,29,30).
What are the key properties of 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole has a molecular weight of 469.60 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 3322173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).