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

C27H26N2O — CID 160847265

IUPAC1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole
SMILES[2H]C([2H])([2H])C([2H])(C)c1c(-n2ccnc2-c2ccccc2)c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc2c1oc1ccccc12
InChIInChI=1S/C27H26N2O/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-18H,1-4H3/i1D3,2D3,3D3,17D,18D
InChIKeyIAKWWUOVBPGSAJ-BVGIEHGHSA-N
MW405.59 g/mol
LogP7.69
Rot. Bonds7

About 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

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 (PubChem CID 160847265) has the molecular formula C27H26N2O and a molecular weight of 405.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole
PubChem CID160847265
Molecular FormulaC27H26N2O
Molecular Weight405.59 g/mol
Exact Mass405.27
IUPAC Name1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole
SMILES[2H]C([2H])([2H])C([2H])(C)c1c(-n2ccnc2-c2ccccc2)c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc2c1oc1ccccc12
InChIInChI=1S/C27H26N2O/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-18H,1-4H3/i1D3,2D3,3D3,17D,18D
InChIKeyIAKWWUOVBPGSAJ-BVGIEHGHSA-N
XLogP7.69
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
CID 166564056
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
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;pentakis(1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole);bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 157479785
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])C([2H])(C)c1c(-n2ccnc2-c2ccccc2)c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc2c1oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is IAKWWUOVBPGSAJ-BVGIEHGHSA-N. The full InChI is InChI=1S/C27H26N2O/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-18H,1-4H3/i1D3,2D3,3D3,17D,18D.
What are the key properties of 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?
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 has a molecular weight of 405.59 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160847265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).