(3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate

C24H23F2N3O4S — CID 174339473

IUPAC(3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate
SMILESCC(C)c1nc(CCO)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C24H23F2N3O4S/c1-15(2)23-24(34(31,32)33-20-11-18(25)10-19(26)12-20)29(22(28-23)7-8-30)14-16-9-17-5-3-4-6-21(17)27-13-16/h3-6,9-13,15,30H,7-8,14H2,1-2H3
InChIKeyAPWZXIUQXHGNSX-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.18
Rot. Bonds8

About (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate

(3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate (PubChem CID 174339473) has the molecular formula C24H23F2N3O4S and a molecular weight of 487.53 g/mol. Its IUPAC name is (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate.

Molecular Properties

Compound Name(3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate
PubChem CID174339473
Molecular FormulaC24H23F2N3O4S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Name(3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate
SMILESCC(C)c1nc(CCO)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C24H23F2N3O4S/c1-15(2)23-24(34(31,32)33-20-11-18(25)10-19(26)12-20)29(22(28-23)7-8-30)14-16-9-17-5-3-4-6-21(17)27-13-16/h3-6,9-13,15,30H,7-8,14H2,1-2H3
InChIKeyAPWZXIUQXHGNSX-UHFFFAOYSA-N
XLogP4.18
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate 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 (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate?
The IUPAC name of (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate (CID 174339473) is (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate.
What is the SMILES notation for (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate?
The canonical SMILES for (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate is CC(C)c1nc(CCO)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate?
The InChIKey is APWZXIUQXHGNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S/c1-15(2)23-24(34(31,32)33-20-11-18(25)10-19(26)12-20)29(22(28-23)7-8-30)14-16-9-17-5-3-4-6-21(17)27-13-16/h3-6,9-13,15,30H,7-8,14H2,1-2H3.
What are the key properties of (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate?
(3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate has a molecular weight of 487.53 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) 2-(2-hydroxyethyl)-5-propan-2-yl-3-(quinolin-3-ylmethyl)imidazole-4-sulfonate is sourced from PubChem (CID 174339473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).