5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C24H16FN5OS — CID 118734536

IUPAC5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nc3sc(-c4ccc(F)cc4)nn3c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H16FN5OS/c1-31-17-12-8-14(9-13-17)20-21(22-26-18-4-2-3-5-19(18)27-22)30-24(28-20)32-23(29-30)15-6-10-16(25)11-7-15/h2-13H,1H3,(H,26,27)
InChIKeyUAMOALMDWRLITB-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.82
Rot. Bonds4

About 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118734536) has the molecular formula C24H16FN5OS and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118734536
Molecular FormulaC24H16FN5OS
Molecular Weight441.49 g/mol
Exact Mass441.11
IUPAC Name5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nc3sc(-c4ccc(F)cc4)nn3c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H16FN5OS/c1-31-17-12-8-14(9-13-17)20-21(22-26-18-4-2-3-5-19(18)27-22)30-24(28-20)32-23(29-30)15-6-10-16(25)11-7-15/h2-13H,1H3,(H,26,27)
InChIKeyUAMOALMDWRLITB-UHFFFAOYSA-N
XLogP5.82
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole 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 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 118734536) is 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2nc3sc(-c4ccc(F)cc4)nn3c2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UAMOALMDWRLITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5OS/c1-31-17-12-8-14(9-13-17)20-21(22-26-18-4-2-3-5-19(18)27-22)30-24(28-20)32-23(29-30)15-6-10-16(25)11-7-15/h2-13H,1H3,(H,26,27).
What are the key properties of 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 441.49 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118734536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).