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

C12H11BrN2O2 — CID 82561325

IUPACmethyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1-c1ccccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-17-11(16)8-15-7-6-14-12(15)9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKeyKHANRSYKXWVFNP-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.49
Rot. Bonds3

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

methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate (PubChem CID 82561325) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
PubChem CID82561325
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Namemethyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1-c1ccccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-17-11(16)8-15-7-6-14-12(15)9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKeyKHANRSYKXWVFNP-UHFFFAOYSA-N
XLogP2.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 82562220
methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
CID 82561230
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate
CID 56865415
2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559693
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 82561148
methyl 2-[4-(2-bromophenyl)pyrimidin-2-yl]acetate
CID 116901222
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
methyl 2-(4-bromoindazol-2-yl)acetate
CID 131383868

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate (CID 82561325) is methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate is COC(=O)Cn1ccnc1-c1ccccc1Br.
What is the InChIKey of methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate?
The InChIKey is KHANRSYKXWVFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-11(16)8-15-7-6-14-12(15)9-4-2-3-5-10(9)13/h2-7H,8H2,1H3.
What are the key properties of methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate?
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate has a molecular weight of 295.14 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate is sourced from PubChem (CID 82561325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).