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

C17H11BrCl2N2O2 — CID 11258836

IUPACmethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H11BrCl2N2O2/c1-24-17(23)14-9-22(15-7-6-12(19)8-13(15)20)16(21-14)10-2-4-11(18)5-3-10/h2-9H,1H3
InChIKeyMCUJLMXLVVYABG-UHFFFAOYSA-N
MW426.10 g/mol
LogP5.40
Rot. Bonds3

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

methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11258836) has the molecular formula C17H11BrCl2N2O2 and a molecular weight of 426.10 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11258836
Molecular FormulaC17H11BrCl2N2O2
Molecular Weight426.10 g/mol
Exact Mass423.94
IUPAC Namemethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H11BrCl2N2O2/c1-24-17(23)14-9-22(15-7-6-12(19)8-13(15)20)16(21-14)10-2-4-11(18)5-3-10/h2-9H,1H3
InChIKeyMCUJLMXLVVYABG-UHFFFAOYSA-N
XLogP5.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.10
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)-1H-4-imidazolecarboxylate
CID 11408035
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-(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
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
2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid
CID 11485454

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (CID 11258836) is methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is COC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is MCUJLMXLVVYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2/c1-24-17(23)14-9-22(15-7-6-12(19)8-13(15)20)16(21-14)10-2-4-11(18)5-3-10/h2-9H,1H3.
What are the key properties of methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate has a molecular weight of 426.10 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11258836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).