ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate

C19H16BrClN2O2 — CID 176912169

IUPACethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C19H16BrClN2O2/c1-3-25-19(24)17-12(2)23(16-10-6-14(20)7-11-16)18(22-17)13-4-8-15(21)9-5-13/h4-11H,3H2,1-2H3
InChIKeyDZARZCQRSHIQOT-UHFFFAOYSA-N
MW419.71 g/mol
LogP5.44
Rot. Bonds4

About ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate

ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate (PubChem CID 176912169) has the molecular formula C19H16BrClN2O2 and a molecular weight of 419.71 g/mol. Its IUPAC name is ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
PubChem CID176912169
Molecular FormulaC19H16BrClN2O2
Molecular Weight419.71 g/mol
Exact Mass418.01
IUPAC Nameethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C19H16BrClN2O2/c1-3-25-19(24)17-12(2)23(16-10-6-14(20)7-11-16)18(22-17)13-4-8-15(21)9-5-13/h4-11H,3H2,1-2H3
InChIKeyDZARZCQRSHIQOT-UHFFFAOYSA-N
XLogP5.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
ethyl 5-(4-bromophenyl)-4-[(tert-butylamino)methyl]-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 162647607
ethyl 3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylate
CID 164852991
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
ethane;ethyl 5-bromo-2-[(2E,4Z)-2-chlorohexa-2,4-dienyl]-1-(4-chlorophenyl)imidazole-4-carboxylate
CID 143066911
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
ethyl 2-[(3E)-3-chloropenta-1,3-dien-2-yl]-1-(4-chlorophenyl)-5-formylimidazole-4-carboxylate
CID 142992078
ethyl 5-bromo-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylate
CID 67032003
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
CID 69142158
ethyl 5-(4-bromophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
CID 14339198

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate (CID 176912169) is ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)c1C.
What is the InChIKey of ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate?
The InChIKey is DZARZCQRSHIQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2/c1-3-25-19(24)17-12(2)23(16-10-6-14(20)7-11-16)18(22-17)13-4-8-15(21)9-5-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate?
ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate has a molecular weight of 419.71 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate is sourced from PubChem (CID 176912169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).