2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole

C16H14N4O3S — CID 40553724

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCCOc1ccc2nc(SCc3nnc(-c4ccco4)o3)[nH]c2c1
InChIInChI=1S/C16H14N4O3S/c1-2-21-10-5-6-11-12(8-10)18-16(17-11)24-9-14-19-20-15(23-14)13-4-3-7-22-13/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyDHRYMBNVWCMVCY-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.90
Rot. Bonds6

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 40553724) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID40553724
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCCOc1ccc2nc(SCc3nnc(-c4ccco4)o3)[nH]c2c1
InChIInChI=1S/C16H14N4O3S/c1-2-21-10-5-6-11-12(8-10)18-16(17-11)24-9-14-19-20-15(23-14)13-4-3-7-22-13/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyDHRYMBNVWCMVCY-UHFFFAOYSA-N
XLogP3.90
TPSA89.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
2-[(2,6-dichlorophenyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 4666829
6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 23739518
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
6-ethoxy-2-[(4-iodophenyl)methylsulfanyl]-1H-benzimidazole
CID 65491332
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-6-ethoxy-1H-benzimidazole
CID 62465703
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 40553724) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole is CCOc1ccc2nc(SCc3nnc(-c4ccco4)o3)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is DHRYMBNVWCMVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-2-21-10-5-6-11-12(8-10)18-16(17-11)24-9-14-19-20-15(23-14)13-4-3-7-22-13/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 342.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 40553724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).