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

C14H9BrN4OS2 — CID 25331057

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)s1
InChIInChI=1S/C14H9BrN4OS2/c15-11-6-5-10(22-11)13-19-18-12(20-13)7-21-14-16-8-3-1-2-4-9(8)17-14/h1-6H,7H2,(H,16,17)
InChIKeyILHDHEXSEIHNPX-UHFFFAOYSA-N
MW393.29 g/mol
LogP4.73
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 25331057) has the molecular formula C14H9BrN4OS2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
PubChem CID25331057
Molecular FormulaC14H9BrN4OS2
Molecular Weight393.29 g/mol
Exact Mass391.94
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)s1
InChIInChI=1S/C14H9BrN4OS2/c15-11-6-5-10(22-11)13-19-18-12(20-13)7-21-14-16-8-3-1-2-4-9(8)17-14/h1-6H,7H2,(H,16,17)
InChIKeyILHDHEXSEIHNPX-UHFFFAOYSA-N
XLogP4.73
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.73
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-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
CID 43249576
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66218819
2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16506611
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-bromo-2-methyl-1,3-thiazol-3-ium bromide
CID 18560779
4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-chloroaniline
CID 79131277
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-chloroaniline
CID 79525430
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate
CID 39920834
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole (CID 25331057) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)s1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is ILHDHEXSEIHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4OS2/c15-11-6-5-10(22-11)13-19-18-12(20-13)7-21-14-16-8-3-1-2-4-9(8)17-14/h1-6H,7H2,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 393.29 g/mol, XLogP of 4.73, 4 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-(5-bromothiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 25331057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).