ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate

C20H16BrN3O4 — CID 4736523

IUPACethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BrN3O4/c1-2-28-20(27)17-16(22-11-23-17)19(26)24-15-9-8-13(21)10-14(15)18(25)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,22,23)(H,24,26)
InChIKeyYETMLEGGGXQLJI-UHFFFAOYSA-N
MW442.27 g/mol
LogP3.83
Rot. Bonds6

About ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 4736523) has the molecular formula C20H16BrN3O4 and a molecular weight of 442.27 g/mol. Its IUPAC name is ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID4736523
Molecular FormulaC20H16BrN3O4
Molecular Weight442.27 g/mol
Exact Mass441.03
IUPAC Nameethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BrN3O4/c1-2-28-20(27)17-16(22-11-23-17)19(26)24-15-9-8-13(21)10-14(15)18(25)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,22,23)(H,24,26)
InChIKeyYETMLEGGGXQLJI-UHFFFAOYSA-N
XLogP3.83
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-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 4-benzoyl-1H-imidazole-5-carboxylate
CID 966467
4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959593
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
ethyl 4-[(6-aminopyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylate
CID 7041039
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
CID 40996274
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 4736523) is ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is YETMLEGGGXQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O4/c1-2-28-20(27)17-16(22-11-23-17)19(26)24-15-9-8-13(21)10-14(15)18(25)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,22,23)(H,24,26).
What are the key properties of ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 442.27 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 4736523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).