2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C24H20N4OS — CID 4993837

IUPAC2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(CCn2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N4OS/c1-3-9-18(10-4-1)15-16-28-21-14-8-7-13-20(21)25-24(28)30-17-22-26-27-23(29-22)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyFHWQMKPLFLAYFB-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.62
Rot. Bonds7

About 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 4993837) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID4993837
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(CCn2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N4OS/c1-3-9-18(10-4-1)15-16-28-21-14-8-7-13-20(21)25-24(28)30-17-22-26-27-23(29-22)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyFHWQMKPLFLAYFB-UHFFFAOYSA-N
XLogP5.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 4993837) is 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is c1ccc(CCn2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc32)cc1.
What is the InChIKey of 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is FHWQMKPLFLAYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-3-9-18(10-4-1)15-16-28-21-14-8-7-13-20(21)25-24(28)30-17-22-26-27-23(29-22)19-11-5-2-6-12-19/h1-14H,15-17H2.
What are the key properties of 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 412.52 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4993837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).