3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole

C23H21BrN2O — CID 142423517

IUPAC3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole
SMILESCOc1ccc(C2=NC(c3ccccc3)N(c3ccc(Br)cc3)C2C)cc1
InChIInChI=1S/C23H21BrN2O/c1-16-22(17-8-14-21(27-2)15-9-17)25-23(18-6-4-3-5-7-18)26(16)20-12-10-19(24)11-13-20/h3-16,23H,1-2H3
InChIKeyLJGQYTMMCAFHIE-UHFFFAOYSA-N
MW421.34 g/mol
LogP5.85
Rot. Bonds4

About 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole

3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole (PubChem CID 142423517) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole
PubChem CID142423517
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC Name3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole
SMILESCOc1ccc(C2=NC(c3ccccc3)N(c3ccc(Br)cc3)C2C)cc1
InChIInChI=1S/C23H21BrN2O/c1-16-22(17-8-14-21(27-2)15-9-17)25-23(18-6-4-3-5-7-18)26(16)20-12-10-19(24)11-13-20/h3-16,23H,1-2H3
InChIKeyLJGQYTMMCAFHIE-UHFFFAOYSA-N
XLogP5.85
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
The IUPAC name of 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole (CID 142423517) is 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole is COc1ccc(C2=NC(c3ccccc3)N(c3ccc(Br)cc3)C2C)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
The InChIKey is LJGQYTMMCAFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c1-16-22(17-8-14-21(27-2)15-9-17)25-23(18-6-4-3-5-7-18)26(16)20-12-10-19(24)11-13-20/h3-16,23H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole has a molecular weight of 421.34 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-methoxyphenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole is sourced from PubChem (CID 142423517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).