2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

C16H10Cl2N4OS — CID 1116759

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1
InChIInChI=1S/C16H10Cl2N4OS/c17-9-5-6-10(11(18)7-9)15-21-22-16(23-15)24-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20)
InChIKeyQEUPBOMAOJHTEO-UHFFFAOYSA-N
MW377.26 g/mol
LogP5.21
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 1116759) has the molecular formula C16H10Cl2N4OS and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID1116759
Molecular FormulaC16H10Cl2N4OS
Molecular Weight377.26 g/mol
Exact Mass376.00
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1
InChIInChI=1S/C16H10Cl2N4OS/c17-9-5-6-10(11(18)7-9)15-21-22-16(23-15)24-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20)
InChIKeyQEUPBOMAOJHTEO-UHFFFAOYSA-N
XLogP5.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 1116759) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is QEUPBOMAOJHTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4OS/c17-9-5-6-10(11(18)7-9)15-21-22-16(23-15)24-8-14-19-12-3-1-2-4-13(12)20-14/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 377.26 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1116759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).