2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole

C17H12F2N4S — CID 58433251

IUPAC2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole
SMILESFc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)c(F)c1
InChIInChI=1S/C17H12F2N4S/c18-12-4-1-10(13(19)8-12)3-6-16-22-23-17(24-16)11-2-5-14-15(7-11)21-9-20-14/h1-2,4-5,7-9H,3,6H2,(H,20,21)
InChIKeyILRZDJBOXJLREG-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.14
Rot. Bonds4

About 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole

2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole (PubChem CID 58433251) has the molecular formula C17H12F2N4S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole
PubChem CID58433251
Molecular FormulaC17H12F2N4S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole
SMILESFc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)c(F)c1
InChIInChI=1S/C17H12F2N4S/c18-12-4-1-10(13(19)8-12)3-6-16-22-23-17(24-16)11-2-5-14-15(7-11)21-9-20-14/h1-2,4-5,7-9H,3,6H2,(H,20,21)
InChIKeyILRZDJBOXJLREG-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole (CID 58433251) is 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole is Fc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)c(F)c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole?
The InChIKey is ILRZDJBOXJLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4S/c18-12-4-1-10(13(19)8-12)3-6-16-22-23-17(24-16)11-2-5-14-15(7-11)21-9-20-14/h1-2,4-5,7-9H,3,6H2,(H,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole?
2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole has a molecular weight of 342.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 58433251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).