2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole

C16H12N4OS — CID 2408766

IUPAC2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1
InChIInChI=1S/C16H12N4OS/c1-2-4-14-13(3-1)18-16(19-14)22-9-11-5-7-12(8-6-11)15-20-17-10-21-15/h1-8,10H,9H2,(H,18,19)
InChIKeyGVEZPHNCZIZTAY-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.91
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole

2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2408766) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2408766
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1
InChIInChI=1S/C16H12N4OS/c1-2-4-14-13(3-1)18-16(19-14)22-9-11-5-7-12(8-6-11)15-20-17-10-21-15/h1-8,10H,9H2,(H,18,19)
InChIKeyGVEZPHNCZIZTAY-UHFFFAOYSA-N
XLogP3.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Benzimidazole, 2-(((5-phenyl-1,3,4-oxadiazol-2-yl)thio)methyl)-
CID 156524
2-(4-(1,3,4-oxadiazol-2-yl)phenyl)-1H-benzo(d)imidazole-4-carboxamide
CID 44473424
methyl 4-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate
CID 2390981
5-(5-(Benzylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 1467864
5-(5-((Naphthalen-2-yl)methylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 25024285
2-(3H-benzimidazol-5-yl)-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 58433229
5-Chloro-2-(5-phenyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-1H-benzoimidazole
CID 653645
methyl 3-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate
CID 705583
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 1116759
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2084268
2-(2-bromophenyl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2493464
4-(1H-benzimidazol-2-ylsulfanyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 2594362

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole (CID 2408766) is 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole is c1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is GVEZPHNCZIZTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-4-14-13(3-1)18-16(19-14)22-9-11-5-7-12(8-6-11)15-20-17-10-21-15/h1-8,10H,9H2,(H,18,19).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole?
2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 308.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2408766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).