1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole

C27H26N2O — CID 166564056

IUPAC1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
SMILES[2H]C([2H])([2H])C([2H])(c1cccc(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-n1ccnc1-c1ccc2oc3ccccc3c2c1)C([2H])([2H])[2H]
InChIInChI=1S/C27H26N2O/c1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25/h5-18H,1-4H3/i1D3,2D3,3D3,4D3,17D,18D
InChIKeyOYDZEWAFIZCWQO-JXDOJKDFSA-N
MW408.60 g/mol
LogP7.69
Rot. Bonds8

About 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole

1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole (PubChem CID 166564056) has the molecular formula C27H26N2O and a molecular weight of 408.60 g/mol. Its IUPAC name is 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole.

Molecular Properties

Compound Name1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
PubChem CID166564056
Molecular FormulaC27H26N2O
Molecular Weight408.60 g/mol
Exact Mass408.29
IUPAC Name1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
SMILES[2H]C([2H])([2H])C([2H])(c1cccc(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-n1ccnc1-c1ccc2oc3ccccc3c2c1)C([2H])([2H])[2H]
InChIInChI=1S/C27H26N2O/c1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25/h5-18H,1-4H3/i1D3,2D3,3D3,4D3,17D,18D
InChIKeyOYDZEWAFIZCWQO-JXDOJKDFSA-N
XLogP7.69
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole
CID 160847265
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
3-(1-dibenzofuran-1-ylimidazol-2-yl)-9-phenylcarbazole
CID 58947252
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium
CID 58947482
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
2-[7-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]dibenzofuran-4-yl]-1-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]imidazole
CID 168843066
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole?
The IUPAC name of 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole (CID 166564056) is 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole.
What is the SMILES notation for 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole?
The canonical SMILES for 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole is [2H]C([2H])([2H])C([2H])(c1cccc(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-n1ccnc1-c1ccc2oc3ccccc3c2c1)C([2H])([2H])[2H].
What is the InChIKey of 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole?
The InChIKey is OYDZEWAFIZCWQO-JXDOJKDFSA-N. The full InChI is InChI=1S/C27H26N2O/c1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25/h5-18H,1-4H3/i1D3,2D3,3D3,4D3,17D,18D.
What are the key properties of 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole?
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole has a molecular weight of 408.60 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole is sourced from PubChem (CID 166564056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).