ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate

C13H14N2O2 — CID 141122236

IUPACethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H14N2O2/c1-2-17-12(16)8-11-9-14-13(15-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyMKSYAFXLCVAWFF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.18
Rot. Bonds4

About ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate

ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate (PubChem CID 141122236) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
PubChem CID141122236
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H14N2O2/c1-2-17-12(16)8-11-9-14-13(15-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyMKSYAFXLCVAWFF-UHFFFAOYSA-N
XLogP2.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate
CID 142689254
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
CID 10093854
2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289482
methyl 3,3-dimethyl-5-(2-phenyl-1H-imidazol-5-yl)pentanoate
CID 147807943
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
methyl 2-(2-trityl-1H-imidazol-5-yl)acetate
CID 70201624
ethyl 2-phenylacetate
CID 7590
1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
CID 170894357
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate (CID 141122236) is ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate is CCOC(=O)Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate?
The InChIKey is MKSYAFXLCVAWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-12(16)8-11-9-14-13(15-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate?
ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate has a molecular weight of 230.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate is sourced from PubChem (CID 141122236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).