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

C23H27BrN2 — CID 121354111

IUPAC1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
SMILESCC(C)Cc1cc(Br)cc(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C23H27BrN2/c1-16(2)12-19-14-21(24)15-20(13-17(3)4)22(19)26-11-10-25-23(26)18-8-6-5-7-9-18/h5-11,14-17H,12-13H2,1-4H3
InChIKeyAQAJDHXRJREAJY-UHFFFAOYSA-N
MW411.39 g/mol
LogP6.70
Rot. Bonds6

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

1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole (PubChem CID 121354111) has the molecular formula C23H27BrN2 and a molecular weight of 411.39 g/mol. Its IUPAC name is 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
PubChem CID121354111
Molecular FormulaC23H27BrN2
Molecular Weight411.39 g/mol
Exact Mass410.14
IUPAC Name1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole
SMILESCC(C)Cc1cc(Br)cc(CC(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C23H27BrN2/c1-16(2)12-19-14-21(24)15-20(13-17(3)4)22(19)26-11-10-25-23(26)18-8-6-5-7-9-18/h5-11,14-17H,12-13H2,1-4H3
InChIKeyAQAJDHXRJREAJY-UHFFFAOYSA-N
XLogP6.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.39
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole?
The IUPAC name of 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole (CID 121354111) is 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole.
What is the SMILES notation for 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole?
The canonical SMILES for 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole is CC(C)Cc1cc(Br)cc(CC(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole?
The InChIKey is AQAJDHXRJREAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2/c1-16(2)12-19-14-21(24)15-20(13-17(3)4)22(19)26-11-10-25-23(26)18-8-6-5-7-9-18/h5-11,14-17H,12-13H2,1-4H3.
What are the key properties of 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole?
1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole has a molecular weight of 411.39 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole is sourced from PubChem (CID 121354111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).