ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate

C20H18BrClN2O2 — CID 67032003

IUPACethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)c1Br
InChIInChI=1S/C20H18BrClN2O2/c1-4-26-20(25)17-18(21)24(16-11-15(22)9-8-13(16)3)19(23-17)14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3
InChIKeyLSVTWGABWQFFNC-UHFFFAOYSA-N
MW433.73 g/mol
LogP5.75
Rot. Bonds4

About ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate

ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate (PubChem CID 67032003) has the molecular formula C20H18BrClN2O2 and a molecular weight of 433.73 g/mol. Its IUPAC name is ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate
PubChem CID67032003
Molecular FormulaC20H18BrClN2O2
Molecular Weight433.73 g/mol
Exact Mass432.02
IUPAC Nameethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)c1Br
InChIInChI=1S/C20H18BrClN2O2/c1-4-26-20(25)17-18(21)24(16-11-15(22)9-8-13(16)3)19(23-17)14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3
InChIKeyLSVTWGABWQFFNC-UHFFFAOYSA-N
XLogP5.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 67954123
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate
CID 67954358
ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
CID 176912169
1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 67954522
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886321
ethyl 1-(5-chloro-2-methylphenyl)triazole-4-carboxylate
CID 122241259
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 5-chloro-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71819249

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate (CID 67032003) is ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)c1Br.
What is the InChIKey of ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate?
The InChIKey is LSVTWGABWQFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2/c1-4-26-20(25)17-18(21)24(16-11-15(22)9-8-13(16)3)19(23-17)14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate?
ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate has a molecular weight of 433.73 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 67032003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).