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

C24H19BrN2O2 — CID 102223701

IUPACmethyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nc(-c2ccc(C)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C24H19BrN2O2/c1-16-8-10-18(11-9-16)23-26-21(17-6-4-3-5-7-17)22(24(28)29-2)27(23)20-14-12-19(25)13-15-20/h3-15H,1-2H3
InChIKeyWKZIRABJEHHYSW-UHFFFAOYSA-N
MW447.33 g/mol
LogP6.06
Rot. Bonds4

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

methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate (PubChem CID 102223701) has the molecular formula C24H19BrN2O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
PubChem CID102223701
Molecular FormulaC24H19BrN2O2
Molecular Weight447.33 g/mol
Exact Mass446.06
IUPAC Namemethyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nc(-c2ccc(C)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C24H19BrN2O2/c1-16-8-10-18(11-9-16)23-26-21(17-6-4-3-5-7-17)22(24(28)29-2)27(23)20-14-12-19(25)13-15-20/h3-15H,1-2H3
InChIKeyWKZIRABJEHHYSW-UHFFFAOYSA-N
XLogP6.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
CID 51699804
dimethyl 4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)-5-phenylpyrrole-2,3-dicarboxylate
CID 102138310
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
CID 122207157
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542
methyl 6-(4-bromophenyl)-3-methyl-5-[2-(4-methylanilino)-2-oxoacetyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 132571324
ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
CID 176912169
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
dimethyl 1-(4-bromophenyl)triazole-4,5-dicarboxylate
CID 7184652
4-[4-methoxycarbonyl-2-(4-methoxyphenyl)-5-methylimidazol-1-yl]benzoic acid
CID 45157100

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate?
The IUPAC name of methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate (CID 102223701) is methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate.
What is the SMILES notation for methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate?
The canonical SMILES for methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)nc(-c2ccc(C)cc2)n1-c1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate?
The InChIKey is WKZIRABJEHHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O2/c1-16-8-10-18(11-9-16)23-26-21(17-6-4-3-5-7-17)22(24(28)29-2)27(23)20-14-12-19(25)13-15-20/h3-15H,1-2H3.
What are the key properties of methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate?
methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate has a molecular weight of 447.33 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate is sourced from PubChem (CID 102223701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).