methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate

C15H18N2O4 — CID 15029352

IUPACmethyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate
SMILESCOC(=O)c1ccccc1C1=NC(C)(C(C)C)C(=O)N1O
InChIInChI=1S/C15H18N2O4/c1-9(2)15(3)14(19)17(20)12(16-15)10-7-5-6-8-11(10)13(18)21-4/h5-9,20H,1-4H3
InChIKeyCDNNUSWGHCQJDO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate

methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate (PubChem CID 15029352) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate
PubChem CID15029352
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate
SMILESCOC(=O)c1ccccc1C1=NC(C)(C(C)C)C(=O)N1O
InChIInChI=1S/C15H18N2O4/c1-9(2)15(3)14(19)17(20)12(16-15)10-7-5-6-8-11(10)13(18)21-4/h5-9,20H,1-4H3
InChIKeyCDNNUSWGHCQJDO-UHFFFAOYSA-N
XLogP1.87
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate?
The IUPAC name of methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate (CID 15029352) is methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate.
What is the SMILES notation for methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate?
The canonical SMILES for methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate is COC(=O)c1ccccc1C1=NC(C)(C(C)C)C(=O)N1O.
What is the InChIKey of methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate?
The InChIKey is CDNNUSWGHCQJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(2)15(3)14(19)17(20)12(16-15)10-7-5-6-8-11(10)13(18)21-4/h5-9,20H,1-4H3.
What are the key properties of methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate?
methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxy-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)benzoate is sourced from PubChem (CID 15029352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).