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

C17H14N4OS — CID 2084268

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1
InChIInChI=1S/C17H14N4OS/c1-11-7-8-13-14(9-11)19-17(18-13)23-10-15-20-21-16(22-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyAXZWIWCFSIGMSJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.21
Rot. Bonds4

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

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 2084268) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID2084268
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1
InChIInChI=1S/C17H14N4OS/c1-11-7-8-13-14(9-11)19-17(18-13)23-10-15-20-21-16(22-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyAXZWIWCFSIGMSJ-UHFFFAOYSA-N
XLogP4.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 2084268) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is AXZWIWCFSIGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-7-8-13-14(9-11)19-17(18-13)23-10-15-20-21-16(22-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2084268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).