(4-imidazol-1-ylphenyl) acetate

C11H10N2O2 — CID 594823

IUPAC(4-imidazol-1-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O2/c1-9(14)15-11-4-2-10(3-5-11)13-7-6-12-8-13/h2-8H,1H3
InChIKeyICSHLWOBHVHPQT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.80
Rot. Bonds2

About (4-imidazol-1-ylphenyl) acetate

(4-imidazol-1-ylphenyl) acetate (PubChem CID 594823) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl) acetate.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl) acetate
PubChem CID594823
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(4-imidazol-1-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H10N2O2/c1-9(14)15-11-4-2-10(3-5-11)13-7-6-12-8-13/h2-8H,1H3
InChIKeyICSHLWOBHVHPQT-UHFFFAOYSA-N
XLogP1.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
(4-imidazol-1-ylphenyl) furan-2-carboxylate
CID 836219
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977
4-(4-imidazol-1-ylphenoxy)pyridine-2-carboxylic acid
CID 67405266
methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
2-(2,5-dimethoxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845002
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl) acetate?
The IUPAC name of (4-imidazol-1-ylphenyl) acetate (CID 594823) is (4-imidazol-1-ylphenyl) acetate.
What is the SMILES notation for (4-imidazol-1-ylphenyl) acetate?
The canonical SMILES for (4-imidazol-1-ylphenyl) acetate is CC(=O)Oc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl) acetate?
The InChIKey is ICSHLWOBHVHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-9(14)15-11-4-2-10(3-5-11)13-7-6-12-8-13/h2-8H,1H3.
What are the key properties of (4-imidazol-1-ylphenyl) acetate?
(4-imidazol-1-ylphenyl) acetate has a molecular weight of 202.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl) acetate is sourced from PubChem (CID 594823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).