5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C24H26FN5O3S — CID 90040466

IUPAC5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCCc1cc(CS(=O)(=O)N2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C24H26FN5O3S/c1-2-21-15-20(27-33-21)17-34(31,32)29-13-11-28(12-14-29)24-26-22-5-3-4-6-23(22)30(24)16-18-7-9-19(25)10-8-18/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyNSOQMGPYQWUCSH-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.43
Rot. Bonds7

About 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 90040466) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID90040466
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCCc1cc(CS(=O)(=O)N2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C24H26FN5O3S/c1-2-21-15-20(27-33-21)17-34(31,32)29-13-11-28(12-14-29)24-26-22-5-3-4-6-23(22)30(24)16-18-7-9-19(25)10-8-18/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyNSOQMGPYQWUCSH-UHFFFAOYSA-N
XLogP3.43
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole 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-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 90040466) is 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is CCc1cc(CS(=O)(=O)N2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)no1.
What is the InChIKey of 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is NSOQMGPYQWUCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-2-21-15-20(27-33-21)17-34(31,32)29-13-11-28(12-14-29)24-26-22-5-3-4-6-23(22)30(24)16-18-7-9-19(25)10-8-18/h3-10,15H,2,11-14,16-17H2,1H3.
What are the key properties of 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 483.57 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 90040466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).