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

C13H13BrN2O2 — CID 11953523

IUPACethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
SMILESCCOC(=O)Cc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C13H13BrN2O2/c1-2-18-13(17)7-12-15-8-11(16-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyUYMLPEZJNWQCGQ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.94
Rot. Bonds4

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

ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate (PubChem CID 11953523) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
PubChem CID11953523
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Nameethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
SMILESCCOC(=O)Cc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C13H13BrN2O2/c1-2-18-13(17)7-12-15-8-11(16-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyUYMLPEZJNWQCGQ-UHFFFAOYSA-N
XLogP2.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 116880248
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590
ethyl 2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetate
CID 1080939
(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
CID 99791201
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682
5-(4-ethoxycarbonylphenyl)-1H-imidazole-2-carboxylic acid
CID 174389731
ethyl 2-[4-[2-[(diaminomethylidenecarbamoylamino)methyl]-1H-imidazol-5-yl]phenoxy]acetate
CID 143516284

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate (CID 11953523) is ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate is CCOC(=O)Cc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
The InChIKey is UYMLPEZJNWQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-18-13(17)7-12-15-8-11(16-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate?
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate has a molecular weight of 309.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 11953523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).