methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate

C13H14BrN3O2 — CID 103544311

IUPACmethyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1ccccc1Br
InChIInChI=1S/C13H14BrN3O2/c1-3-10-16-11(13(18)19-2)12(15)17(10)9-7-5-4-6-8(9)14/h4-7H,3,15H2,1-2H3
InChIKeyXIOZGOCEBPSCJK-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.57
Rot. Bonds3

About methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate (PubChem CID 103544311) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
PubChem CID103544311
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Namemethyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1ccccc1Br
InChIInChI=1S/C13H14BrN3O2/c1-3-10-16-11(13(18)19-2)12(15)17(10)9-7-5-4-6-8(9)14/h4-7H,3,15H2,1-2H3
InChIKeyXIOZGOCEBPSCJK-UHFFFAOYSA-N
XLogP2.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-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

methyl 5-amino-1-(2-bromo-4-methylphenyl)-2-ethylimidazole-4-carboxylate
CID 103544566
methyl 5-amino-1-(5-bromo-2,4-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546310
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
CID 63465967
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(2,4-dichlorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544472
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
methyl 5-amino-1-(3-chloro-2-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103546323

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate (CID 103544311) is methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1-c1ccccc1Br.
What is the InChIKey of methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate?
The InChIKey is XIOZGOCEBPSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-10-16-11(13(18)19-2)12(15)17(10)9-7-5-4-6-8(9)14/h4-7H,3,15H2,1-2H3.
What are the key properties of methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate has a molecular weight of 324.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103544311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).