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

C15H12N4OS2 — CID 2998935

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1
InChIInChI=1S/C15H12N4OS2/c1-9-4-5-10-11(7-9)17-15(16-10)22-8-13-18-19-14(20-13)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyBDLWXODNGNAOFW-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.28
Rot. Bonds4

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

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 2998935) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID2998935
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1
InChIInChI=1S/C15H12N4OS2/c1-9-4-5-10-11(7-9)17-15(16-10)22-8-13-18-19-14(20-13)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyBDLWXODNGNAOFW-UHFFFAOYSA-N
XLogP4.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 2998935) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is BDLWXODNGNAOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c1-9-4-5-10-11(7-9)17-15(16-10)22-8-13-18-19-14(20-13)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2998935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).