2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide

C25H28F4N4O3S — CID 66705626

IUPAC2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide
SMILESC=CC(C)(Cc1cn(S(=O)(=O)N(C)C)c(C(C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)n1)C(F)(F)F
InChIInChI=1S/C25H28F4N4O3S/c1-6-23(2,25(27,28)29)14-20-16-33(37(35,36)32(4)5)22(31-20)24(3,34)13-17-7-9-18(10-8-17)21-12-11-19(26)15-30-21/h6-12,15-16,34H,1,13-14H2,2-5H3
InChIKeyICSHXCLHBAQPQU-UHFFFAOYSA-N
MW540.58 g/mol
LogP4.49
Rot. Bonds9

About 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide

2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide (PubChem CID 66705626) has the molecular formula C25H28F4N4O3S and a molecular weight of 540.58 g/mol. Its IUPAC name is 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide.

Molecular Properties

Compound Name2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide
PubChem CID66705626
Molecular FormulaC25H28F4N4O3S
Molecular Weight540.58 g/mol
Exact Mass540.18
IUPAC Name2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide
SMILESC=CC(C)(Cc1cn(S(=O)(=O)N(C)C)c(C(C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)n1)C(F)(F)F
InChIInChI=1S/C25H28F4N4O3S/c1-6-23(2,25(27,28)29)14-20-16-33(37(35,36)32(4)5)22(31-20)24(3,34)13-17-7-9-18(10-8-17)21-12-11-19(26)15-30-21/h6-12,15-16,34H,1,13-14H2,2-5H3
InChIKeyICSHXCLHBAQPQU-UHFFFAOYSA-N
XLogP4.49
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-dimethylbutyl)-2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethylimidazole-1-sulfonamide
CID 66705641
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840
methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate
CID 86637794
2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone
CID 59161928
2-[4-(5-fluoro-2-pyridinyl)phenyl]-1-[6-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5-dihydro-1H-azepin-2-yl]propan-2-ol
CID 143661322
2-[4-(5-fluoro-2-pyridinyl)phenyl]-1-[6-[[1-(trifluoromethyl)cyclobutyl]methyl]-4,5-dihydro-1H-azepin-2-yl]propan-2-ol
CID 143661399
[1-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]-methylcarbamic acid
CID 66705785
1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
CID 68667977
3-[4-(2,2-dimethylpropyl)-5-methyl-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
CID 68668292
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide?
The IUPAC name of 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide (CID 66705626) is 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide.
What is the SMILES notation for 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide?
The canonical SMILES for 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide is C=CC(C)(Cc1cn(S(=O)(=O)N(C)C)c(C(C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)n1)C(F)(F)F.
What is the InChIKey of 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide?
The InChIKey is ICSHXCLHBAQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N4O3S/c1-6-23(2,25(27,28)29)14-20-16-33(37(35,36)32(4)5)22(31-20)24(3,34)13-17-7-9-18(10-8-17)21-12-11-19(26)15-30-21/h6-12,15-16,34H,1,13-14H2,2-5H3.
What are the key properties of 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide?
2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide has a molecular weight of 540.58 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-fluoro-2-pyridinyl)phenyl]-2-hydroxypropan-2-yl]-N,N-dimethyl-4-[2-methyl-2-(trifluoromethyl)but-3-enyl]imidazole-1-sulfonamide is sourced from PubChem (CID 66705626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).