5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole

C23H19BrN2 — CID 122227299

IUPAC5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Br)c3)n2C)cc1
InChIInChI=1S/C23H19BrN2/c1-16-11-13-18(14-12-16)23-25-21(17-7-4-3-5-8-17)22(26(23)2)19-9-6-10-20(24)15-19/h3-15H,1-2H3
InChIKeyPXCDXOGLTOSSDB-UHFFFAOYSA-N
MW403.32 g/mol
LogP6.49
Rot. Bonds3

About 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole

5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole (PubChem CID 122227299) has the molecular formula C23H19BrN2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole
PubChem CID122227299
Molecular FormulaC23H19BrN2
Molecular Weight403.32 g/mol
Exact Mass402.07
IUPAC Name5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Br)c3)n2C)cc1
InChIInChI=1S/C23H19BrN2/c1-16-11-13-18(14-12-16)23-25-21(17-7-4-3-5-8-17)22(26(23)2)19-9-6-10-20(24)15-19/h3-15H,1-2H3
InChIKeyPXCDXOGLTOSSDB-UHFFFAOYSA-N
XLogP6.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
1-methyl-4-(2-methylphenyl)-2,5-diphenylimidazole
CID 53243903
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
CID 15129898
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
CID 122207157
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
1-bromo-3-phenylbenzene;ethane
CID 163977967
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole?
The IUPAC name of 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole (CID 122227299) is 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole.
What is the SMILES notation for 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole?
The canonical SMILES for 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole is Cc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Br)c3)n2C)cc1.
What is the InChIKey of 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole?
The InChIKey is PXCDXOGLTOSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2/c1-16-11-13-18(14-12-16)23-25-21(17-7-4-3-5-8-17)22(26(23)2)19-9-6-10-20(24)15-19/h3-15H,1-2H3.
What are the key properties of 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole?
5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole has a molecular weight of 403.32 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole is sourced from PubChem (CID 122227299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).