methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate

C15H17BrN2O2 — CID 116880482

IUPACmethyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ncc(-c2cc(Br)ccc2C)[nH]1
InChIInChI=1S/C15H17BrN2O2/c1-9-5-6-10(16)7-11(9)12-8-17-13(18-12)15(2,3)14(19)20-4/h5-8H,1-4H3,(H,17,18)
InChIKeyFFUMEYHDHQMMBL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.60
Rot. Bonds3

About methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate

methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate (PubChem CID 116880482) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate
PubChem CID116880482
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Namemethyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ncc(-c2cc(Br)ccc2C)[nH]1
InChIInChI=1S/C15H17BrN2O2/c1-9-5-6-10(16)7-11(9)12-8-17-13(18-12)15(2,3)14(19)20-4/h5-8H,1-4H3,(H,17,18)
InChIKeyFFUMEYHDHQMMBL-UHFFFAOYSA-N
XLogP3.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate 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

2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880575
5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883755
methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
CID 116882510
methyl 2-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]propanoate
CID 116880480
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878702
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
CID 116882398
methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate
CID 116880471
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879349
4-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]aniline
CID 116877778
methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate
CID 141293494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate (CID 116880482) is methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1ncc(-c2cc(Br)ccc2C)[nH]1.
What is the InChIKey of methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate?
The InChIKey is FFUMEYHDHQMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-5-6-10(16)7-11(9)12-8-17-13(18-12)15(2,3)14(19)20-4/h5-8H,1-4H3,(H,17,18).
What are the key properties of methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate?
methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate has a molecular weight of 337.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate is sourced from PubChem (CID 116880482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).