3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one

C17H21N3O3 — CID 165422015

IUPAC3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(C)cc(-c2nccn2C2CCN(C)C2=O)c1OC
InChIInChI=1S/C17H21N3O3/c1-11-9-12(15(23-4)14(10-11)22-3)16-18-6-8-20(16)13-5-7-19(2)17(13)21/h6,8-10,13H,5,7H2,1-4H3
InChIKeyJWFQNUOHBCHTDF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.28
Rot. Bonds4

About 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one

3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 165422015) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID165422015
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(C)cc(-c2nccn2C2CCN(C)C2=O)c1OC
InChIInChI=1S/C17H21N3O3/c1-11-9-12(15(23-4)14(10-11)22-3)16-18-6-8-20(16)13-5-7-19(2)17(13)21/h6,8-10,13H,5,7H2,1-4H3
InChIKeyJWFQNUOHBCHTDF-UHFFFAOYSA-N
XLogP2.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole
CID 165427260
3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 154563903
3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146039804
3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146038802
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
CID 165420343
1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
CID 146040356
2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
CID 171322062
(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70751011
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 165424669
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 95121393

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one (CID 165422015) is 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one is COc1cc(C)cc(-c2nccn2C2CCN(C)C2=O)c1OC.
What is the InChIKey of 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is JWFQNUOHBCHTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-9-12(15(23-4)14(10-11)22-3)16-18-6-8-20(16)13-5-7-19(2)17(13)21/h6,8-10,13H,5,7H2,1-4H3.
What are the key properties of 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 165422015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).