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

C16H12N4OS — CID 1467864

IUPAC2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-4-11(5-3-1)9-22-16-20-19-15(21-16)12-6-7-13-14(8-12)18-10-17-13/h1-8,10H,9H2,(H,17,18)
InChIKeyKENKFSUYPQBEGQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.91
Rot. Bonds4

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

2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole (PubChem CID 1467864) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole
PubChem CID1467864
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-4-11(5-3-1)9-22-16-20-19-15(21-16)12-6-7-13-14(8-12)18-10-17-13/h1-8,10H,9H2,(H,17,18)
InChIKeyKENKFSUYPQBEGQ-UHFFFAOYSA-N
XLogP3.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzotriazol-1-yl 1H-benzimidazole-5-carboxylate
CID 15959239
1-methyl-6-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazol-2-yl]-1H-benzimidazole
CID 44590565
1H-Benzimidazole, 2-(((5-phenyl-1,3,4-oxadiazol-2-yl)thio)methyl)-
CID 156524
1H-Benzimidazole, 2-(((5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl)thio)methyl)-
CID 156525
5-(5-((Naphthalen-2-yl)methylthio)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 25024285
5-(5-Phenethyl-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433214
2-(3H-benzimidazol-5-yl)-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 58433229
2-(benzenesulfonylmethyl)-5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazole
CID 58433250
5-(5-(2,4-Difluorophenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433261
5-(5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433268
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2064549
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2084268

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole (CID 1467864) is 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole is c1ccc(CSc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole?
The InChIKey is KENKFSUYPQBEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-4-11(5-3-1)9-22-16-20-19-15(21-16)12-6-7-13-14(8-12)18-10-17-13/h1-8,10H,9H2,(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole has a molecular weight of 308.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 1467864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).