methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate

C12H11BrN2O2 — CID 116880250

IUPACmethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C12H11BrN2O2/c1-17-12(16)6-11-14-7-10(15-11)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyOQNCMKMTAMKZGT-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.55
Rot. Bonds3

About methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate

methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate (PubChem CID 116880250) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
PubChem CID116880250
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Namemethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C12H11BrN2O2/c1-17-12(16)6-11-14-7-10(15-11)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyOQNCMKMTAMKZGT-UHFFFAOYSA-N
XLogP2.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 116880248
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
CID 111421674
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 17427646

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate (CID 116880250) is methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate is COC(=O)Cc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
The InChIKey is OQNCMKMTAMKZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-12(16)6-11-14-7-10(15-11)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate has a molecular weight of 295.14 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 116880250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).