methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate

C12H11ClN2O3 — CID 117225195

IUPACmethyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(=O)n(C)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O3/c1-15-10(7-4-3-5-8(13)6-7)9(11(16)18-2)14-12(15)17/h3-6H,1-2H3,(H,14,17)
InChIKeyBZPSTHGTIGDGIO-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.82
Rot. Bonds2

About methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate

methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate (PubChem CID 117225195) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
PubChem CID117225195
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Namemethyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(=O)n(C)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O3/c1-15-10(7-4-3-5-8(13)6-7)9(11(16)18-2)14-12(15)17/h3-6H,1-2H3,(H,14,17)
InChIKeyBZPSTHGTIGDGIO-UHFFFAOYSA-N
XLogP1.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-bromophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225243
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225231
methyl 5-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271225
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117222996
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 135316727
methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564325
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
CID 165172104
methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222880
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate (CID 117225195) is methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(=O)n(C)c1-c1cccc(Cl)c1.
What is the InChIKey of methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
The InChIKey is BZPSTHGTIGDGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-15-10(7-4-3-5-8(13)6-7)9(11(16)18-2)14-12(15)17/h3-6H,1-2H3,(H,14,17).
What are the key properties of methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate has a molecular weight of 266.68 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate is sourced from PubChem (CID 117225195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).