2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C17H14N4O2S — CID 35431011

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C17H14N4O2S/c1-22-12-8-6-11(7-9-12)16-21-20-15(23-16)10-24-17-18-13-4-2-3-5-14(13)19-17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyXQIQJQRHEZUAHO-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.91
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 35431011) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID35431011
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C17H14N4O2S/c1-22-12-8-6-11(7-9-12)16-21-20-15(23-16)10-24-17-18-13-4-2-3-5-14(13)19-17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyXQIQJQRHEZUAHO-UHFFFAOYSA-N
XLogP3.91
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135923343
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
CID 25331057
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 66573857
2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 34172318
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455
4-tert-butyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 172774535
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate
CID 39920834
2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16506611
2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 35042305
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 40553724

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 35431011) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is XQIQJQRHEZUAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-22-12-8-6-11(7-9-12)16-21-20-15(23-16)10-24-17-18-13-4-2-3-5-14(13)19-17/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 35431011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).