Bms-852927
2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
Molecular Identity
Bms-852927
2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
PubChem CID: 49787490
2D Structure
Properties
C29H28Cl2F2N2O4S
Molecular Formula
609.50
Molecular Weight
g/mol
608.1115
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
974
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)OIsomeric SMILES
SMILES: CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)OSynonyms(20)
1256918-39-4BMS-852927XL-041EXEL-04541041H9649L8MZN2-(2-(1-(2,6-Dichlorophenyl)-1-methyl-ethyl)-1-(2-fluoro-4-(3-fluoro-4-(hydroxymethyl)-5-methylsulfonyl-phenyl)phenyl)imidazol-4-yl)propan-2-ol1H-Imidazole-4-methanol, 2-(1-(2,6-dichlorophenyl)-1-methylethyl)-1-(3,3'-difluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)(1,1'-biphenyl)-4-yl)-alpha,alpha-dimethyl-1H-IMIDAZOLE-4-METHANOL, 2-(1-(2,6-DICHLOROPHENYL)-1-METHYLETHYL)-1-(3,3'-DIFLUORO-4'-(HYDROXYMETHYL)-5'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)-.ALPHA.,.ALPHA.-DIMETHYL-2-[2-[1-(2,6-dichlorophenyl)-1-methyl-ethyl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-olRefChem:120751XL-652XL041UNII-H9649L8MZN2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-olCHEMBL3945199
Data from PubChem (NCBI)
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