1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole

C29H32N2 — CID 58175669

IUPAC1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
SMILESCC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C29H32N2/c1-21(2)17-26-19-25(23-11-7-5-8-12-23)20-27(18-22(3)4)28(26)31-16-15-30-29(31)24-13-9-6-10-14-24/h5-16,19-22H,17-18H2,1-4H3
InChIKeyOVRAGQOKMUXBKG-UHFFFAOYSA-N
MW408.59 g/mol
LogP7.60
Rot. Bonds7

About 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole (PubChem CID 58175669) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
PubChem CID58175669
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole
SMILESCC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C29H32N2/c1-21(2)17-26-19-25(23-11-7-5-8-12-23)20-27(18-22(3)4)28(26)31-16-15-30-29(31)24-13-9-6-10-14-24/h5-16,19-22H,17-18H2,1-4H3
InChIKeyOVRAGQOKMUXBKG-UHFFFAOYSA-N
XLogP7.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole?
The IUPAC name of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole (CID 58175669) is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole.
What is the SMILES notation for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole?
The canonical SMILES for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole is CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole?
The InChIKey is OVRAGQOKMUXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-21(2)17-26-19-25(23-11-7-5-8-12-23)20-27(18-22(3)4)28(26)31-16-15-30-29(31)24-13-9-6-10-14-24/h5-16,19-22H,17-18H2,1-4H3.
What are the key properties of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole?
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole has a molecular weight of 408.59 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole is sourced from PubChem (CID 58175669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).