1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole

C56H53F6N9O8S2 — CID 172938436

IUPAC1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole
SMILESCOC(C)(OC)N(C)C.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(/C(N)=N\O)nc3-c3ccccc3C(F)(F)F)cc2)c1.Cc1nc(-c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)c(-c3ccccc3C(F)(F)F)n2)no1
InChIInChI=1S/C26H19F3N4O3S.C24H19F3N4O3S.C6H15NO2/c1-16-30-24(32-36-16)23-15-33(25(31-23)21-8-3-4-9-22(21)26(27,28)29)19-12-10-17(11-13-19)18-6-5-7-20(14-18)37(2,34)35;1-35(33,34)18-6-4-5-16(13-18)15-9-11-17(12-10-15)31-14-21(22(28)30-32)29-23(31)19-7-2-3-8-20(19)24(25,26)27;1-6(8-4,9-5)7(2)3/h3-15H,1-2H3;2-14,32H,1H3,(H2,28,30);1-5H3
InChIKeyHYGYMMJONNSGPI-UHFFFAOYSA-N
MW1158.22 g/mol
LogP11.22
Rot. Bonds13

About 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole

1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole (PubChem CID 172938436) has the molecular formula C56H53F6N9O8S2 and a molecular weight of 1158.22 g/mol. Its IUPAC name is 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole
PubChem CID172938436
Molecular FormulaC56H53F6N9O8S2
Molecular Weight1158.22 g/mol
Exact Mass1157.34
IUPAC Name1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole
SMILESCOC(C)(OC)N(C)C.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(/C(N)=N\O)nc3-c3ccccc3C(F)(F)F)cc2)c1.Cc1nc(-c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)c(-c3ccccc3C(F)(F)F)n2)no1
InChIInChI=1S/C26H19F3N4O3S.C24H19F3N4O3S.C6H15NO2/c1-16-30-24(32-36-16)23-15-33(25(31-23)21-8-3-4-9-22(21)26(27,28)29)19-12-10-17(11-13-19)18-6-5-7-20(14-18)37(2,34)35;1-35(33,34)18-6-4-5-16(13-18)15-9-11-17(12-10-15)31-14-21(22(28)30-32)29-23(31)19-7-2-3-8-20(19)24(25,26)27;1-6(8-4,9-5)7(2)3/h3-15H,1-2H3;2-14,32H,1H3,(H2,28,30);1-5H3
InChIKeyHYGYMMJONNSGPI-UHFFFAOYSA-N
XLogP11.22
TPSA223.15 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001158.22
LogP ≤ 511.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole 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

ethyl 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 159776110
methyl-methylidene-[3-[4-[4-(4-methylthiophen-3-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenyl]-oxo-λ6-sulfane
CID 163561281
3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
CID 59251379
1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59251628
4-(4-isocyanooxan-4-yl)-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59240168
2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[4-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]propan-2-ol
CID 59251617
2-[5-fluoro-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251622
2-[1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251214
5-[1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 162556163
2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251229
5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 59240040
4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 162556159

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole (CID 172938436) is 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole is COC(C)(OC)N(C)C.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(/C(N)=N\O)nc3-c3ccccc3C(F)(F)F)cc2)c1.Cc1nc(-c2cn(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)c(-c3ccccc3C(F)(F)F)n2)no1.
What is the InChIKey of 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is HYGYMMJONNSGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O3S.C24H19F3N4O3S.C6H15NO2/c1-16-30-24(32-36-16)23-15-33(25(31-23)21-8-3-4-9-22(21)26(27,28)29)19-12-10-17(11-13-19)18-6-5-7-20(14-18)37(2,34)35;1-35(33,34)18-6-4-5-16(13-18)15-9-11-17(12-10-15)31-14-21(22(28)30-32)29-23(31)19-7-2-3-8-20(19)24(25,26)27;1-6(8-4,9-5)7(2)3/h3-15H,1-2H3;2-14,32H,1H3,(H2,28,30);1-5H3.
What are the key properties of 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole?
1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 1158.22 g/mol, XLogP of 11.22, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N,N-dimethylethanamine;N'-hydroxy-1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboximidamide;5-methyl-3-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 172938436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).