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

C117H102N16O5 — CID 161286622

IUPAC(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
SMILESCc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)[C@H]1C
InChIInChI=1S/2C26H21N3O.C25H20N4O.C22H22N4O.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;1-17-14-15-21-20-11-6-7-13-23(20)30-25(21)24(17)29-18(2)28(19-9-4-3-5-10-19)22-12-8-16-27-26(22)29;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;1-13(2)25-15(4)26(22-21(25)23-11-12-24-22)19-14(3)9-10-17-16-7-5-6-8-18(16)27-20(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/h2*3-16,18H,1-2H3;3-15,17H,1-2H3;5-13,15H,1-4H3;4-11,13H,1-3H3/t2*18-;17-;15-;13-/m00000/s1/i;;;;3D3
InChIKeyVFUOQALXUKJVRQ-MDCZQJQSSA-N
MW1815.23 g/mol
LogP30.03
Rot. Bonds10

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

(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole (PubChem CID 161286622) has the molecular formula C117H102N16O5 and a molecular weight of 1815.23 g/mol. Its IUPAC name is (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
PubChem CID161286622
Molecular FormulaC117H102N16O5
Molecular Weight1815.23 g/mol
Exact Mass1813.84
IUPAC Name(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
SMILESCc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)[C@H]1C
InChIInChI=1S/2C26H21N3O.C25H20N4O.C22H22N4O.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;1-17-14-15-21-20-11-6-7-13-23(20)30-25(21)24(17)29-18(2)28(19-9-4-3-5-10-19)22-12-8-16-27-26(22)29;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;1-13(2)25-15(4)26(22-21(25)23-11-12-24-22)19-14(3)9-10-17-16-7-5-6-8-18(16)27-20(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/h2*3-16,18H,1-2H3;3-15,17H,1-2H3;5-13,15H,1-4H3;4-11,13H,1-3H3/t2*18-;17-;15-;13-/m00000/s1/i;;;;3D3
InChIKeyVFUOQALXUKJVRQ-MDCZQJQSSA-N
XLogP30.03
TPSA175.44 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.23
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-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 (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
The IUPAC name of (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole (CID 161286622) is (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole.
What is the SMILES notation for (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
The canonical SMILES for (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole is Cc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)[C@H]1C.
What is the InChIKey of (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
The InChIKey is VFUOQALXUKJVRQ-MDCZQJQSSA-N. The full InChI is InChI=1S/2C26H21N3O.C25H20N4O.C22H22N4O.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;1-17-14-15-21-20-11-6-7-13-23(20)30-25(21)24(17)29-18(2)28(19-9-4-3-5-10-19)22-12-8-16-27-26(22)29;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;1-13(2)25-15(4)26(22-21(25)23-11-12-24-22)19-14(3)9-10-17-16-7-5-6-8-18(16)27-20(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/h2*3-16,18H,1-2H3;3-15,17H,1-2H3;5-13,15H,1-4H3;4-11,13H,1-3H3/t2*18-;17-;15-;13-/m00000/s1/i;;;;3D3.
What are the key properties of (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?
(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole has a molecular weight of 1815.23 g/mol, XLogP of 30.03, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole is sourced from PubChem (CID 161286622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).