ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate

C18H13BrCl2N2O2 — CID 11408035

IUPACethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H13BrCl2N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyZXNGHKGWIDGULE-UHFFFAOYSA-N
MW440.12 g/mol
LogP5.79
Rot. Bonds4

About ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate

ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11408035) has the molecular formula C18H13BrCl2N2O2 and a molecular weight of 440.12 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11408035
Molecular FormulaC18H13BrCl2N2O2
Molecular Weight440.12 g/mol
Exact Mass437.95
IUPAC Nameethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H13BrCl2N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyZXNGHKGWIDGULE-UHFFFAOYSA-N
XLogP5.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.12
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11463590
1-(2,4-Dichloro-phenyl)-2-(4-iodo-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11190972
1-(2,4-Dichloro-phenyl)-2-p-tolyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11337823
2-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid propyl ester
CID 11751392
1,2-Diphenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11098320
1-(3-Chloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11347980
2-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11188040
2-(4-Chloro-phenyl)-1-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11232659
2-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid methyl ester
CID 11258836
1-(2,4-Dichloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11302887
1,2-Bis-(4-chloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11348959
2-(4-Chloro-phenyl)-1-(3,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11349974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (CID 11408035) is ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is ZXNGHKGWIDGULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate has a molecular weight of 440.12 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11408035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).