5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole

C23H21N3OS — CID 4833875

IUPAC5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)cc1
InChIInChI=1S/C23H21N3OS/c1-3-9-17(10-4-1)21-15-24-22(27-21)16-28-23-25-19-13-7-8-14-20(19)26(23)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2
InChIKeyUHBJBPSGRYZBMH-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.70
Rot. Bonds5

About 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole

5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 4833875) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID4833875
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)cc1
InChIInChI=1S/C23H21N3OS/c1-3-9-17(10-4-1)21-15-24-22(27-21)16-28-23-25-19-13-7-8-14-20(19)26(23)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2
InChIKeyUHBJBPSGRYZBMH-UHFFFAOYSA-N
XLogP5.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole (CID 4833875) is 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole is c1ccc(-c2cnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)cc1.
What is the InChIKey of 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is UHBJBPSGRYZBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-3-9-17(10-4-1)21-15-24-22(27-21)16-28-23-25-19-13-7-8-14-20(19)26(23)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2.
What are the key properties of 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole?
5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 387.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 4833875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).