1H-imidazol-2-yl 2-phenylacetate

C11H10N2O2 — CID 54356000

IUPAC1H-imidazol-2-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ncc[nH]1
InChIInChI=1S/C11H10N2O2/c14-10(15-11-12-6-7-13-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyUJDIHOQSQIQNEG-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.56
Rot. Bonds3

About 1H-imidazol-2-yl 2-phenylacetate

1H-imidazol-2-yl 2-phenylacetate (PubChem CID 54356000) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1H-imidazol-2-yl 2-phenylacetate.

Molecular Properties

Compound Name1H-imidazol-2-yl 2-phenylacetate
PubChem CID54356000
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1H-imidazol-2-yl 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ncc[nH]1
InChIInChI=1S/C11H10N2O2/c14-10(15-11-12-6-7-13-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyUJDIHOQSQIQNEG-UHFFFAOYSA-N
XLogP1.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl 2-phenylacetate?
The IUPAC name of 1H-imidazol-2-yl 2-phenylacetate (CID 54356000) is 1H-imidazol-2-yl 2-phenylacetate.
What is the SMILES notation for 1H-imidazol-2-yl 2-phenylacetate?
The canonical SMILES for 1H-imidazol-2-yl 2-phenylacetate is O=C(Cc1ccccc1)Oc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl 2-phenylacetate?
The InChIKey is UJDIHOQSQIQNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-10(15-11-12-6-7-13-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13).
What are the key properties of 1H-imidazol-2-yl 2-phenylacetate?
1H-imidazol-2-yl 2-phenylacetate has a molecular weight of 202.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl 2-phenylacetate is sourced from PubChem (CID 54356000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).