1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole

C27H26N2O — CID 58400936

IUPAC1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
SMILESCC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C27H26N2O/c1-17(2)21-16-22(18(3)4)26-24(20-12-8-9-13-23(20)30-26)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-18H,1-4H3
InChIKeyVQFRJUSCCKJQBR-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.69
Rot. Bonds4

About 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole

1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole (PubChem CID 58400936) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
PubChem CID58400936
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
SMILESCC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C27H26N2O/c1-17(2)21-16-22(18(3)4)26-24(20-12-8-9-13-23(20)30-26)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-18H,1-4H3
InChIKeyVQFRJUSCCKJQBR-UHFFFAOYSA-N
XLogP7.69
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(15-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)imidazole
CID 171051613
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole?
The IUPAC name of 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole (CID 58400936) is 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole?
The canonical SMILES for 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole is CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole?
The InChIKey is VQFRJUSCCKJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-17(2)21-16-22(18(3)4)26-24(20-12-8-9-13-23(20)30-26)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-18H,1-4H3.
What are the key properties of 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole?
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole has a molecular weight of 394.52 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole is sourced from PubChem (CID 58400936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).