2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole

C42H30N14O4S4 — CID 158116776

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)nc1.c1ccc2[nH]c(CSc3nnc(-c4nccs4)o3)nc2c1.c1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C15H11N5OS.C14H10N4O2S.C13H9N5OS2/c1-2-6-11-10(5-1)17-13(18-11)9-22-15-20-19-14(21-15)12-7-3-4-8-16-12;1-2-5-10-9(4-1)15-12(16-10)8-21-14-18-17-13(20-14)11-6-3-7-19-11;1-2-4-9-8(3-1)15-10(16-9)7-21-13-18-17-11(19-13)12-14-5-6-20-12/h1-8H,9H2,(H,17,18);1-7H,8H2,(H,15,16);1-6H,7H2,(H,15,16)
InChIKeyFRCKLTOBUXIEFL-UHFFFAOYSA-N
MW923.06 g/mol
LogP10.16
Rot. Bonds12

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole

2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 158116776) has the molecular formula C42H30N14O4S4 and a molecular weight of 923.06 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole
PubChem CID158116776
Molecular FormulaC42H30N14O4S4
Molecular Weight923.06 g/mol
Exact Mass922.15
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)nc1.c1ccc2[nH]c(CSc3nnc(-c4nccs4)o3)nc2c1.c1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C15H11N5OS.C14H10N4O2S.C13H9N5OS2/c1-2-6-11-10(5-1)17-13(18-11)9-22-15-20-19-14(21-15)12-7-3-4-8-16-12;1-2-5-10-9(4-1)15-12(16-10)8-21-14-18-17-13(20-14)11-6-3-7-19-11;1-2-4-9-8(3-1)15-10(16-9)7-21-13-18-17-11(19-13)12-14-5-6-20-12/h1-8H,9H2,(H,17,18);1-7H,8H2,(H,15,16);1-6H,7H2,(H,15,16)
InChIKeyFRCKLTOBUXIEFL-UHFFFAOYSA-N
XLogP10.16
TPSA241.72 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.06
LogP ≤ 510.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
CID 157292818
2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole;2-thiophen-2-ylfuran
CID 157898045
2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
CID 158413158
bis(2-methylfuran);2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene)
CID 161310395
1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)
CID 162283748
N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
CID 172940742

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole (CID 158116776) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole is c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)nc1.c1ccc2[nH]c(CSc3nnc(-c4nccs4)o3)nc2c1.c1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is FRCKLTOBUXIEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS.C14H10N4O2S.C13H9N5OS2/c1-2-6-11-10(5-1)17-13(18-11)9-22-15-20-19-14(21-15)12-7-3-4-8-16-12;1-2-5-10-9(4-1)15-12(16-10)8-21-14-18-17-13(20-14)11-6-3-7-19-11;1-2-4-9-8(3-1)15-10(16-9)7-21-13-18-17-11(19-13)12-14-5-6-20-12/h1-8H,9H2,(H,17,18);1-7H,8H2,(H,15,16);1-6H,7H2,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 923.06 g/mol, XLogP of 10.16, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole;2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-thiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 158116776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).