methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate

C16H20N2O3 — CID 71082904

IUPACmethyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate
SMILESCOC(=O)c1cc(C)ccc1C1=NC(C)C(=O)N1C(C)C
InChIInChI=1S/C16H20N2O3/c1-9(2)18-14(17-11(4)15(18)19)12-7-6-10(3)8-13(12)16(20)21-5/h6-9,11H,1-5H3
InChIKeyFWYQMTXMRSRQJS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.17
Rot. Bonds3

About methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate

methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate (PubChem CID 71082904) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate
PubChem CID71082904
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate
SMILESCOC(=O)c1cc(C)ccc1C1=NC(C)C(=O)N1C(C)C
InChIInChI=1S/C16H20N2O3/c1-9(2)18-14(17-11(4)15(18)19)12-7-6-10(3)8-13(12)16(20)21-5/h6-9,11H,1-5H3
InChIKeyFWYQMTXMRSRQJS-UHFFFAOYSA-N
XLogP2.17
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate?
The IUPAC name of methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate (CID 71082904) is methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate.
What is the SMILES notation for methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate?
The canonical SMILES for methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate is COC(=O)c1cc(C)ccc1C1=NC(C)C(=O)N1C(C)C.
What is the InChIKey of methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate?
The InChIKey is FWYQMTXMRSRQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)18-14(17-11(4)15(18)19)12-7-6-10(3)8-13(12)16(20)21-5/h6-9,11H,1-5H3.
What are the key properties of methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate?
methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate has a molecular weight of 288.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(4-methyl-5-oxo-1-propan-2-yl-4H-imidazol-2-yl)benzoate is sourced from PubChem (CID 71082904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).