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

C23H24FN5O3S — CID 123149391

IUPAC3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)N2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C23H24FN5O3S/c1-17-14-20(26-32-17)16-33(30,31)28-12-10-27(11-13-28)23-25-21-4-2-3-5-22(21)29(23)15-18-6-8-19(24)9-7-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyQORHYQYAGBBNQH-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.17
Rot. Bonds6

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

3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole (PubChem CID 123149391) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole
PubChem CID123149391
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)N2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C23H24FN5O3S/c1-17-14-20(26-32-17)16-33(30,31)28-12-10-27(11-13-28)23-25-21-4-2-3-5-22(21)29(23)15-18-6-8-19(24)9-7-18/h2-9,14H,10-13,15-16H2,1H3
InChIKeyQORHYQYAGBBNQH-UHFFFAOYSA-N
XLogP3.17
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole (CID 123149391) is 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CS(=O)(=O)N2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)no1.
What is the InChIKey of 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is QORHYQYAGBBNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-17-14-20(26-32-17)16-33(30,31)28-12-10-27(11-13-28)23-25-21-4-2-3-5-22(21)29(23)15-18-6-8-19(24)9-7-18/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole?
3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 469.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 123149391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).