ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate

C15H18BrN3O2 — CID 67984527

IUPACethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C[C@](C)(N)c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-3-21-14(20)13-18-7-8-19(13)10-15(2,17)11-5-4-6-12(16)9-11/h4-9H,3,10,17H2,1-2H3/t15-/m0/s1
InChIKeyMLESDHQJDGSMJZ-HNNXBMFYSA-N
MW352.23 g/mol
LogP2.70
Rot. Bonds5

About ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate

ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate (PubChem CID 67984527) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate
PubChem CID67984527
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Nameethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C[C@](C)(N)c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-3-21-14(20)13-18-7-8-19(13)10-15(2,17)11-5-4-6-12(16)9-11/h4-9H,3,10,17H2,1-2H3/t15-/m0/s1
InChIKeyMLESDHQJDGSMJZ-HNNXBMFYSA-N
XLogP2.70
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 79744166
ethyl 1-(methylsulfonylmethyl)imidazole-2-carboxylate
CID 151215685
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
ethyl 1-tert-butylimidazole-2-carboxylate
CID 132990489
ethyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazole-2-carboxylate
CID 178080165
ethyl 2-[2-(3-bromophenyl)-2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)propyl]pyrazole-3-carboxylate
CID 118476421
ethyl 4-(3-bromophenyl)-4-hydroxypentanoate
CID 66324035
diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
CID 166619240
ethyl 5-[1-(3-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazole-2-carboxylate
CID 123422600
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate (CID 67984527) is ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate is CCOC(=O)c1nccn1C[C@](C)(N)c1cccc(Br)c1.
What is the InChIKey of ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate?
The InChIKey is MLESDHQJDGSMJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-21-14(20)13-18-7-8-19(13)10-15(2,17)11-5-4-6-12(16)9-11/h4-9H,3,10,17H2,1-2H3/t15-/m0/s1.
What are the key properties of ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate?
ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate has a molecular weight of 352.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-amino-2-(3-bromophenyl)propyl]imidazole-2-carboxylate is sourced from PubChem (CID 67984527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).