7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate

C164H151F21I8N14O24 — CID 159937682

About 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate

7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate (PubChem CID 159937682) has the molecular formula C164H151F21I8N14O24 and a molecular weight of 4116.28 g/mol. Its IUPAC name is 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate.

Molecular Properties

• Compound Name: 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate
• PubChem CID: 159937682
• Molecular Formula: C164H151F21I8N14O24
• Molecular Weight: 4116.28 g/mol
• Exact Mass: 4114.30
• IUPAC Name: 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate
• SMILES: C.C.C.CC(=O)CCCCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(-c2ccco2)cc1.CC(=O)CCCCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(I)cc1.COC(=O)CNC(=O)c1ccc(I)cc1.Cc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(I)cc1.O=C(NCC(O)(O)C(F)(F)F)c1ccc(I)cc1.O=C(O)CCCCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(-c2ccco2)cc1.O=C(O)CNC(=O)c1ccc(I)cc1.O=C(O)c1ccc(I)cc1.O=C1OC(c2ccc(I)cc2)=NC1C(=O)C(F)(F)F.Oc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(I)cc1
• InChI: InChI=1S/C28H27F3N2O3.C27H25F3N2O4.C24H24F3IN2O2.C18H14F3IN2.C17H12F3IN2O.C11H5F3INO3.C10H9F3INO3.C10H10INO3.C9H8INO3.C7H5IO2.3CH4/c1-20(34)8-3-2-6-16-35-25-10-5-4-9-23(25)19-33-26(28(29,30)31)18-32-27(33)22-14-12-21(13-15-22)24-11-7-17-36-24;28-27(29,30)24-17-31-26(20-13-11-19(12-14-20)22-9-6-16-36-22)32(24)18-21-7-3-4-8-23(21)35-15-5-1-2-10-25(33)34;1-17(31)7-3-2-6-14-32-21-9-5-4-8-19(21)16-30-22(24(25,26)27)15-29-23(30)18-10-12-20(28)13-11-18;1-12-4-2-3-5-14(12)11-24-16(18(19,20)21)10-23-17(24)13-6-8-15(22)9-7-13;18-17(19,20)15-9-22-16(11-5-7-13(21)8-6-11)23(15)10-12-3-1-2-4-14(12)24;12-11(13,14)8(17)7-10(18)19-9(16-7)5-1-3-6(15)4-2-5;11-10(12,13)9(17,18)5-15-8(16)6-1-3-7(14)4-2-6;1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7;10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;8-6-3-1-5(2-4-6)7(9)10;;;/h4-5,7,9-15,17-18H,2-3,6,8,16,19H2,1H3;3-4,6-9,11-14,16-17H,1-2,5,10,15,18H2,(H,33,34);4-5,8-13,15H,2-3,6-7,14,16H2,1H3;2-10H,11H2,1H3;1-9,24H,10H2;1-4,7H;1-4,17-18H,5H2,(H,15,16);2-5H,6H2,1H3,(H,12,14);1-4H,5H2,(H,11,14)(H,12,13);1-4H,(H,9,10);3*1H4
• InChIKey: OALRXNLENCGMCA-UHFFFAOYSA-N
• XLogP: 41.07
• TPSA: 519.13 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 50
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4116.28
LogP ≤ 5	41.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate?

The IUPAC name of 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate (CID 159937682) is 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate.

What is the SMILES notation for 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate?

The canonical SMILES for 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate is C.C.C.CC(=O)CCCCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(-c2ccco2)cc1.CC(=O)CCCCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(I)cc1.COC(=O)CNC(=O)c1ccc(I)cc1.Cc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(I)cc1.O=C(NCC(O)(O)C(F)(F)F)c1ccc(I)cc1.O=C(O)CCCCCOc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(-c2ccco2)cc1.O=C(O)CNC(=O)c1ccc(I)cc1.O=C(O)c1ccc(I)cc1.O=C1OC(c2ccc(I)cc2)=NC1C(=O)C(F)(F)F.Oc1ccccc1Cn1c(C(F)(F)F)cnc1-c1ccc(I)cc1.

What is the InChIKey of 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate?

The InChIKey is OALRXNLENCGMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O3.C27H25F3N2O4.C24H24F3IN2O2.C18H14F3IN2.C17H12F3IN2O.C11H5F3INO3.C10H9F3INO3.C10H10INO3.C9H8INO3.C7H5IO2.3CH4/c1-20(34)8-3-2-6-16-35-25-10-5-4-9-23(25)19-33-26(28(29,30)31)18-32-27(33)22-14-12-21(13-15-22)24-11-7-17-36-24;28-27(29,30)24-17-31-26(20-13-11-19(12-14-20)22-9-6-16-36-22)32(24)18-21-7-3-4-8-23(21)35-15-5-1-2-10-25(33)34;1-17(31)7-3-2-6-14-32-21-9-5-4-8-19(21)16-30-22(24(25,26)27)15-29-23(30)18-10-12-20(28)13-11-18;1-12-4-2-3-5-14(12)11-24-16(18(19,20)21)10-23-17(24)13-6-8-15(22)9-7-13;18-17(19,20)15-9-22-16(11-5-7-13(21)8-6-11)23(15)10-12-3-1-2-4-14(12)24;12-11(13,14)8(17)7-10(18)19-9(16-7)5-1-3-6(15)4-2-5;11-10(12,13)9(17,18)5-15-8(16)6-1-3-7(14)4-2-6;1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7;10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;8-6-3-1-5(2-4-6)7(9)10;;;/h4-5,7,9-15,17-18H,2-3,6,8,16,19H2,1H3;3-4,6-9,11-14,16-17H,1-2,5,10,15,18H2,(H,33,34);4-5,8-13,15H,2-3,6-7,14,16H2,1H3;2-10H,11H2,1H3;1-9,24H,10H2;1-4,7H;1-4,17-18H,5H2,(H,15,16);2-5H,6H2,1H3,(H,12,14);1-4H,5H2,(H,11,14)(H,12,13);1-4H,(H,9,10);3*1H4.

What are the key properties of 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate?

7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate has a molecular weight of 4116.28 g/mol, XLogP of 41.07, 50 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate is sourced from PubChem (CID 159937682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).