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

C19H15BrCl2N2O2 — CID 11751392

IUPACpropyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C19H15BrCl2N2O2/c1-2-9-26-19(25)16-11-24(17-8-7-14(21)10-15(17)22)18(23-16)12-3-5-13(20)6-4-12/h3-8,10-11H,2,9H2,1H3
InChIKeyCZWPQBKQWPIDLE-UHFFFAOYSA-N
MW454.15 g/mol
LogP6.18
Rot. Bonds5

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

propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11751392) has the molecular formula C19H15BrCl2N2O2 and a molecular weight of 454.15 g/mol. Its IUPAC name is propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11751392
Molecular FormulaC19H15BrCl2N2O2
Molecular Weight454.15 g/mol
Exact Mass451.97
IUPAC Namepropyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C19H15BrCl2N2O2/c1-2-9-26-19(25)16-11-24(17-8-7-14(21)10-15(17)22)18(23-16)12-3-5-13(20)6-4-12/h3-8,10-11H,2,9H2,1H3
InChIKeyCZWPQBKQWPIDLE-UHFFFAOYSA-N
XLogP6.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.15
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 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
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 propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (CID 11751392) is propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is CCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is CZWPQBKQWPIDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrCl2N2O2/c1-2-9-26-19(25)16-11-24(17-8-7-14(21)10-15(17)22)18(23-16)12-3-5-13(20)6-4-12/h3-8,10-11H,2,9H2,1H3.
What are the key properties of propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate has a molecular weight of 454.15 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11751392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).