1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole

C23H26FN3O2S — CID 10137364

IUPAC1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole
SMILESCc1ccc(S(=O)(=O)N2C(CCCn3ccnc3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O2S/c1-18-4-11-22(12-5-18)30(28,29)27-21(3-2-15-26-16-14-25-17-26)10-13-23(27)19-6-8-20(24)9-7-19/h4-9,11-12,14,16-17,21,23H,2-3,10,13,15H2,1H3
InChIKeyUVTGRFMCXIBWJT-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.71
Rot. Bonds7

About 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole

1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole (PubChem CID 10137364) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole
PubChem CID10137364
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC Name1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole
SMILESCc1ccc(S(=O)(=O)N2C(CCCn3ccnc3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O2S/c1-18-4-11-22(12-5-18)30(28,29)27-21(3-2-15-26-16-14-25-17-26)10-13-23(27)19-6-8-20(24)9-7-19/h4-9,11-12,14,16-17,21,23H,2-3,10,13,15H2,1H3
InChIKeyUVTGRFMCXIBWJT-UHFFFAOYSA-N
XLogP4.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole 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 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole (CID 10137364) is 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole is Cc1ccc(S(=O)(=O)N2C(CCCn3ccnc3)CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole?
The InChIKey is UVTGRFMCXIBWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-18-4-11-22(12-5-18)30(28,29)27-21(3-2-15-26-16-14-25-17-26)10-13-23(27)19-6-8-20(24)9-7-19/h4-9,11-12,14,16-17,21,23H,2-3,10,13,15H2,1H3.
What are the key properties of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole?
1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole has a molecular weight of 427.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole is sourced from PubChem (CID 10137364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).