methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate

C12H11BrFN3O2 — CID 103544792

IUPACmethyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H11BrFN3O2/c1-6-16-10(12(18)19-2)11(15)17(6)9-5-7(13)3-4-8(9)14/h3-5H,15H2,1-2H3
InChIKeyBGMDXAIHDAIRIN-UHFFFAOYSA-N
MW328.14 g/mol
LogP2.45
Rot. Bonds2

About methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate (PubChem CID 103544792) has the molecular formula C12H11BrFN3O2 and a molecular weight of 328.14 g/mol. Its IUPAC name is methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
PubChem CID103544792
Molecular FormulaC12H11BrFN3O2
Molecular Weight328.14 g/mol
Exact Mass327.00
IUPAC Namemethyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H11BrFN3O2/c1-6-16-10(12(18)19-2)11(15)17(6)9-5-7(13)3-4-8(9)14/h3-5H,15H2,1-2H3
InChIKeyBGMDXAIHDAIRIN-UHFFFAOYSA-N
XLogP2.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544266
methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
CID 103544528
ethyl 5-amino-1-(2-bromo-5-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 107630303
methyl 5-amino-1-(5-bromo-2,4-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546310
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544590
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
methyl 5-amino-1-(3-fluoro-5-nitrophenyl)-2-methylimidazole-4-carboxylate
CID 107335574
methyl 4-amino-2-(5-bromo-2-fluorophenyl)pyrimidine-5-carboxylate
CID 116865037
methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
CID 103544798
ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
CID 63465967
methyl 5-amino-1-(2-bromo-4-methylphenyl)-2-ethylimidazole-4-carboxylate
CID 103544566

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate (CID 103544792) is methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2cc(Br)ccc2F)c1N.
What is the InChIKey of methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate?
The InChIKey is BGMDXAIHDAIRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2/c1-6-16-10(12(18)19-2)11(15)17(6)9-5-7(13)3-4-8(9)14/h3-5H,15H2,1-2H3.
What are the key properties of methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate has a molecular weight of 328.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).