1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole

C29H30N2O — CID 58400883

IUPAC1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
SMILESCC(C)Cc1cc2oc3ccccc3c2c(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C29H30N2O/c1-19(2)16-22-18-26-27(23-12-8-9-13-25(23)32-26)24(17-20(3)4)28(22)31-15-14-30-29(31)21-10-6-5-7-11-21/h5-15,18-20H,16-17H2,1-4H3
InChIKeyYUIWKYCSKUPBIX-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.84
Rot. Bonds6

About 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole

1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole (PubChem CID 58400883) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
PubChem CID58400883
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
SMILESCC(C)Cc1cc2oc3ccccc3c2c(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C29H30N2O/c1-19(2)16-22-18-26-27(23-12-8-9-13-25(23)32-26)24(17-20(3)4)28(22)31-15-14-30-29(31)21-10-6-5-7-11-21/h5-15,18-20H,16-17H2,1-4H3
InChIKeyYUIWKYCSKUPBIX-UHFFFAOYSA-N
XLogP7.84
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
CID 58175669
1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
CID 58175677
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)
CID 158042556
1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
CID 121354111
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-[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-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
CID 158336027
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
CID 166564056
iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole
CID 58401026
3-(1-dibenzofuran-1-ylimidazol-2-yl)-9-phenylcarbazole
CID 58947252

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole?
The IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole (CID 58400883) is 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole.
What is the SMILES notation for 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole?
The canonical SMILES for 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole is CC(C)Cc1cc2oc3ccccc3c2c(CC(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole?
The InChIKey is YUIWKYCSKUPBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-19(2)16-22-18-26-27(23-12-8-9-13-25(23)32-26)24(17-20(3)4)28(22)31-15-14-30-29(31)21-10-6-5-7-11-21/h5-15,18-20H,16-17H2,1-4H3.
What are the key properties of 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole?
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole has a molecular weight of 422.57 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole is sourced from PubChem (CID 58400883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).