2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole

C106H117IN10O6 — CID 157138534

IUPAC2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole
SMILESCC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(C)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2C)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2O)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1.Cc1ccccc1Cn1c(C)cnc1-c1ccc(I)cc1
InChIInChI=1S/C26H32N2O2.C25H30N2O3.C19H20N2.C18H17IN2.C18H18N2O/c1-19-11-13-23(14-12-19)26-27-17-21(3)28(26)18-24-9-5-6-10-25(24)30-15-7-8-20(2)16-22(4)29;1-18-10-12-21(13-11-18)25-26-16-20(3)27(25)17-22-8-4-5-9-23(22)30-14-6-7-19(2)15-24(28)29;1-14-8-10-17(11-9-14)19-20-12-16(3)21(19)13-18-7-5-4-6-15(18)2;1-13-5-3-4-6-16(13)12-21-14(2)11-20-18(21)15-7-9-17(19)10-8-15;1-13-7-9-15(10-8-13)18-19-11-14(2)20(18)12-16-5-3-4-6-17(16)21/h5-6,9-14,17,20H,7-8,15-16,18H2,1-4H3;4-5,8-13,16,19H,6-7,14-15,17H2,1-3H3,(H,28,29);4-12H,13H2,1-3H3;3-11H,12H2,1-2H3;3-11,21H,12H2,1-2H3/t20-;19-;;;/m11.../s1
InChIKeyAJXLLDBBYVQSEF-BHUNACHASA-N
MW1754.07 g/mol
LogP24.74
Rot. Bonds29

About 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole

2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole (PubChem CID 157138534) has the molecular formula C106H117IN10O6 and a molecular weight of 1754.07 g/mol. Its IUPAC name is 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole
PubChem CID157138534
Molecular FormulaC106H117IN10O6
Molecular Weight1754.07 g/mol
Exact Mass1752.82
IUPAC Name2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole
SMILESCC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(C)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2C)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2O)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1.Cc1ccccc1Cn1c(C)cnc1-c1ccc(I)cc1
InChIInChI=1S/C26H32N2O2.C25H30N2O3.C19H20N2.C18H17IN2.C18H18N2O/c1-19-11-13-23(14-12-19)26-27-17-21(3)28(26)18-24-9-5-6-10-25(24)30-15-7-8-20(2)16-22(4)29;1-18-10-12-21(13-11-18)25-26-16-20(3)27(25)17-22-8-4-5-9-23(22)30-14-6-7-19(2)15-24(28)29;1-14-8-10-17(11-9-14)19-20-12-16(3)21(19)13-18-7-5-4-6-15(18)2;1-13-5-3-4-6-16(13)12-21-14(2)11-20-18(21)15-7-9-17(19)10-8-15;1-13-7-9-15(10-8-13)18-19-11-14(2)20(18)12-16-5-3-4-6-17(16)21/h5-6,9-14,17,20H,7-8,15-16,18H2,1-4H3;4-5,8-13,16,19H,6-7,14-15,17H2,1-3H3,(H,28,29);4-12H,13H2,1-3H3;3-11H,12H2,1-2H3;3-11,21H,12H2,1-2H3/t20-;19-;;;/m11.../s1
InChIKeyAJXLLDBBYVQSEF-BHUNACHASA-N
XLogP24.74
TPSA182.16 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.07
LogP ≤ 524.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole with MolForge

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Related Compounds

(4R)-4-methyl-7-[2-[[2-(6-methyl-3-pyridinyl)-5-(trideuteriomethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[2-(6-methyl-3-pyridinyl)-5-(trideuteriomethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[2-(6-methyl-3-pyridinyl)-5-(trideuteriomethyl)imidazol-1-yl]methyl]phenol
CID 159245260
6-[2-[[2-(4-methoxyphenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 138488028
3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 126752364
(3R)-3-amino-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129027008
4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;(4R)-7-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[4-fluoro-2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-2-(4-methylphenyl)imidazole;4-methyl-N-prop-2-ynylbenzamide
CID 159404828
(3R)-3-amino-6-[4-methyl-2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129026927
ethyl (3R)-3-amino-6-[2-[[2-(4-chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]hexanoate
CID 129026941
(E)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-4-methylhex-4-enoic acid
CID 121269564
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
ethyl 6-[2-[[5-methyl-2-(2-methyl-1-benzofuran-5-yl)imidazol-1-yl]methyl]phenoxy]hexanoate
CID 121269552
3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
CID 11471040
6-[2-[dideuterio-[5-methyl-2-(2-methyl-1-benzofuran-5-yl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 121270316

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole?
The IUPAC name of 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole (CID 157138534) is 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole.
What is the SMILES notation for 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole?
The canonical SMILES for 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole is CC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(C)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2C)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2O)cc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1.Cc1ccccc1Cn1c(C)cnc1-c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole?
The InChIKey is AJXLLDBBYVQSEF-BHUNACHASA-N. The full InChI is InChI=1S/C26H32N2O2.C25H30N2O3.C19H20N2.C18H17IN2.C18H18N2O/c1-19-11-13-23(14-12-19)26-27-17-21(3)28(26)18-24-9-5-6-10-25(24)30-15-7-8-20(2)16-22(4)29;1-18-10-12-21(13-11-18)25-26-16-20(3)27(25)17-22-8-4-5-9-23(22)30-14-6-7-19(2)15-24(28)29;1-14-8-10-17(11-9-14)19-20-12-16(3)21(19)13-18-7-5-4-6-15(18)2;1-13-5-3-4-6-16(13)12-21-14(2)11-20-18(21)15-7-9-17(19)10-8-15;1-13-7-9-15(10-8-13)18-19-11-14(2)20(18)12-16-5-3-4-6-17(16)21/h5-6,9-14,17,20H,7-8,15-16,18H2,1-4H3;4-5,8-13,16,19H,6-7,14-15,17H2,1-3H3,(H,28,29);4-12H,13H2,1-3H3;3-11H,12H2,1-2H3;3-11,21H,12H2,1-2H3/t20-;19-;;;/m11.../s1.
What are the key properties of 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole?
2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole has a molecular weight of 1754.07 g/mol, XLogP of 24.74, 29 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole is sourced from PubChem (CID 157138534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).