bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole — IUPAC name, SMILES, InChIKey & properties

Name: bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole

bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole (PubChem CID 162297087) has the molecular formula C105H102N12O5 and a molecular weight of 1620.10 g/mol. Its IUPAC name is bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole.

Molecular Properties

Compound Name	bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
PubChem CID	162297087
Molecular Formula	C105H102N12O5
Molecular Weight	1620.10 g/mol
Exact Mass	1618.86
IUPAC Name	bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
SMILES	Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1c2ccccc2N(c2c(C)ccc3c2oc2ccccc23)C1C
InChI	InChI=1S/C25H20N4O.C22H20N2O.2C20H22N2O.C18H18N2O/c1-16-12-13-20-19-10-6-7-11-21(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;1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)24;21-13(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/h3-15,17H,1-2H3;4-13,15H,1-3H3;25-13,15H,1-4H3;4-11,13H,1-3H3/i;3D3;2*13D;3D3
InChIKey	CJNUNYJXPLCEHB-OLJVNQOTSA-N
XLogP	27.10
TPSA	123.88 Å²
H-Bond Donors
H-Bond Acceptors	17
Rotatable Bonds	10
Heavy Atoms	122
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.10
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Analyze bis(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-(trideuteriomethyl)-2H-benzimidazole;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 bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?

The IUPAC name of bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole (CID 162297087) is bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole.

What is the SMILES notation for bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?

The canonical SMILES for bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole is Cc1ccc2c(oc3ccccc32)c1N1c2nccnc2N(c2ccccc2)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C([2H])([2H])N1c2ccccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.

What is the InChIKey of bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?

The InChIKey is CJNUNYJXPLCEHB-OLJVNQOTSA-N. The full InChI is InChI=1S/C25H20N4O.C22H20N2O.2C20H22N2O.C18H18N2O/c1-16-12-13-20-19-10-6-7-11-21(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;1-14-12-13-17-16-8-4-7-11-20(16)25-22(17)21(14)24-15(2)23(3)18-9-5-6-10-19(18)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/h3-15,17H,1-2H3;4-13,15H,1-3H3;2*5-13,15H,1-4H3;4-11,13H,1-3H3/i;3D3;2*13D;3D3.

What are the key properties of bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole?

Where does this data come from?

All data for bis(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-(trideuteriomethyl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole is sourced from PubChem (CID 162297087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).