1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole

C109H103N13O5 — CID 162297075

IUPAC1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
SMILESCc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(c2ccccc2)C1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C
InChIInChI=1S/C26H21N3O.C25H20N4O.2C20H22N2O.C18H18N2O/c1-17-14-15-21-20-11-6-7-13-23(20)30-25(21)24(17)29-18(2)28(19-9-4-3-5-10-19)26-22(29)12-8-16-27-26;1-16-12-13-20-19-10-6-7-11-21(19)30-23(20)22(16)29-17(2)28(18-8-4-3-5-9-18)24-25(29)27-15-14-26-24;2*1-13(2)21-11-12-22(15(21)4)19-14(3)9-10-17-16-7-5-6-8-18(16)23-20(17)19;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2/h3-16,18H,1-2H3;3-15,17H,1-2H3;2*5-13,15H,1-4H3;4-11,13H,1-3H3/i;;1D3,13D;13D;3D3
InChIKeyMPBSGJNHZGIBGW-CEGZWRIKSA-N
MW1683.16 g/mol
LogP28.19
Rot. Bonds11

About 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole

1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole (PubChem CID 162297075) has the molecular formula C109H103N13O5 and a molecular weight of 1683.16 g/mol. Its IUPAC name is 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole.

Molecular Properties

Compound Name1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
PubChem CID162297075
Molecular FormulaC109H103N13O5
Molecular Weight1683.16 g/mol
Exact Mass1681.87
IUPAC Name1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
SMILESCc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(c2ccccc2)C1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C
InChIInChI=1S/C26H21N3O.C25H20N4O.2C20H22N2O.C18H18N2O/c1-17-14-15-21-20-11-6-7-13-23(20)30-25(21)24(17)29-18(2)28(19-9-4-3-5-10-19)26-22(29)12-8-16-27-26;1-16-12-13-20-19-10-6-7-11-21(19)30-23(20)22(16)29-17(2)28(18-8-4-3-5-9-18)24-25(29)27-15-14-26-24;2*1-13(2)21-11-12-22(15(21)4)19-14(3)9-10-17-16-7-5-6-8-18(16)23-20(17)19;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2/h3-16,18H,1-2H3;3-15,17H,1-2H3;2*5-13,15H,1-4H3;4-11,13H,1-3H3/i;;1D3,13D;13D;3D3
InChIKeyMPBSGJNHZGIBGW-CEGZWRIKSA-N
XLogP28.19
TPSA136.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.16
LogP ≤ 528.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
The IUPAC name of 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole (CID 162297075) is 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole.
What is the SMILES notation for 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
The canonical SMILES for 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole is Cc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(c2ccccc2)C1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.
What is the InChIKey of 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
The InChIKey is MPBSGJNHZGIBGW-CEGZWRIKSA-N. The full InChI is InChI=1S/C26H21N3O.C25H20N4O.2C20H22N2O.C18H18N2O/c1-17-14-15-21-20-11-6-7-13-23(20)30-25(21)24(17)29-18(2)28(19-9-4-3-5-10-19)26-22(29)12-8-16-27-26;1-16-12-13-20-19-10-6-7-11-21(19)30-23(20)22(16)29-17(2)28(18-8-4-3-5-9-18)24-25(29)27-15-14-26-24;2*1-13(2)21-11-12-22(15(21)4)19-14(3)9-10-17-16-7-5-6-8-18(16)23-20(17)19;1-12-8-9-15-14-6-4-5-7-16(14)21-18(15)17(12)20-11-10-19(3)13(20)2/h3-16,18H,1-2H3;3-15,17H,1-2H3;2*5-13,15H,1-4H3;4-11,13H,1-3H3/i;;1D3,13D;13D;3D3.
What are the key properties of 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole has a molecular weight of 1683.16 g/mol, XLogP of 28.19, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole is sourced from PubChem (CID 162297075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).