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

C16H20N2O3 — CID 76956997

IUPACmethyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(C)cc1C1=N[C@](C)(C(C)C)C(=O)N1
InChIInChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)/t16-/m1/s1
InChIKeyFFCCBBNQPIMUJI-MRXNPFEDSA-N
MW288.35 g/mol
LogP2.07
Rot. Bonds3

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

methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate (PubChem CID 76956997) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate
PubChem CID76956997
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(C)cc1C1=N[C@](C)(C(C)C)C(=O)N1
InChIInChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)/t16-/m1/s1
InChIKeyFFCCBBNQPIMUJI-MRXNPFEDSA-N
XLogP2.07
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate with MolForge

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Related Compounds

4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylic acid;methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate;methyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
CID 89444545
3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acid;methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate;methyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
CID 89444354
methyl 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-1-benzothiophene-6-carboxylate
CID 54545159
2-chloro-3-methyl-4-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CID 70484171
sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CID 173424593
2-(4-methylthiadiazol-5-yl)ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
CID 57220560
formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 159828826
4-methyl-4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-5-one
CID 13476187
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 151639484
methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 15676670
5-(carboxyamino)-6-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 19010356
2-methoxycarbonyl-5-methylbenzenesulfonic acid
CID 18961558

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate?
The IUPAC name of methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate (CID 76956997) is methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate?
The canonical SMILES for methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate is COC(=O)c1ccc(C)cc1C1=N[C@](C)(C(C)C)C(=O)N1.
What is the InChIKey of methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate?
The InChIKey is FFCCBBNQPIMUJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)/t16-/m1/s1.
What are the key properties of methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate?
methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate has a molecular weight of 288.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 76956997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).