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

C19H14BrN3O4 — CID 623829

IUPACmethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H14BrN3O4/c1-27-19(26)16-15(21-10-22-16)18(25)23-14-8-7-12(20)9-13(14)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)(H,23,25)
InChIKeyWUFHBFSUMRYIEP-UHFFFAOYSA-N
MW428.24 g/mol
LogP3.44
Rot. Bonds5

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

methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 623829) has the molecular formula C19H14BrN3O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID623829
Molecular FormulaC19H14BrN3O4
Molecular Weight428.24 g/mol
Exact Mass427.02
IUPAC Namemethyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H14BrN3O4/c1-27-19(26)16-15(21-10-22-16)18(25)23-14-8-7-12(20)9-13(14)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)(H,23,25)
InChIKeyWUFHBFSUMRYIEP-UHFFFAOYSA-N
XLogP3.44
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-{[(2-methylphenyl)amino]carbonyl}-1H-imidazole-5-carboxylate
CID 572364
4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 3577238
methyl 5-{[4-chloro-2-(phenylcarbonyl)phenyl]carbamoyl}-1H-imidazole-4-carboxylate
CID 1540713
methyl 4-[[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 118419076
methyl 4-[[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 118419178
methyl 4-[[3-fluoro-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 118419200
methyl 4-[[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 158263216
methyl 4-[[3-(aminomethyl)-4-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 174832594
4-[(4-bromo-5-fluoro-2-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 116460202
5-(1-Aminopropyl)-1-[4-bromo-2-(2-fluorobenzoyl)phenyl]imidazole-4-carboxylic acid
CID 171509444
5-(2-Aminopropan-2-yl)-1-[4-bromo-2-(2-fluorobenzoyl)phenyl]imidazole-4-carboxylic acid
CID 171509459
ethyl 4-((4-bromophenyl)carbamoyl)-1H-imidazole-5-carboxylate
CID 781352

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 623829) is methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate is COC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is WUFHBFSUMRYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O4/c1-27-19(26)16-15(21-10-22-16)18(25)23-14-8-7-12(20)9-13(14)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)(H,23,25).
What are the key properties of methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate?
methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 428.24 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-benzoyl-4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 623829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).