3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one

C20H27N3O2 — CID 146039804

IUPAC3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCCOc1cc(C)c(-c2nccn2C2CCN(C)C2=O)cc1C(C)C
InChIInChI=1S/C20H27N3O2/c1-6-25-18-11-14(4)16(12-15(18)13(2)3)19-21-8-10-23(19)17-7-9-22(5)20(17)24/h8,10-13,17H,6-7,9H2,1-5H3
InChIKeyMVNFAMQTXSDRMR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.78
Rot. Bonds5

About 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one

3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 146039804) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID146039804
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCCOc1cc(C)c(-c2nccn2C2CCN(C)C2=O)cc1C(C)C
InChIInChI=1S/C20H27N3O2/c1-6-25-18-11-14(4)16(12-15(18)13(2)3)19-21-8-10-23(19)17-7-9-22(5)20(17)24/h8,10-13,17H,6-7,9H2,1-5H3
InChIKeyMVNFAMQTXSDRMR-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146038802
3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol
CID 154566782
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 167783974
4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 3885478
7-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 3650878
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
(3S)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99855249
(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95882510
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)-1-(4-methoxycyclohexyl)imidazole;formic acid
CID 171707581

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one (CID 146039804) is 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one is CCOc1cc(C)c(-c2nccn2C2CCN(C)C2=O)cc1C(C)C.
What is the InChIKey of 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is MVNFAMQTXSDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-6-25-18-11-14(4)16(12-15(18)13(2)3)19-21-8-10-23(19)17-7-9-22(5)20(17)24/h8,10-13,17H,6-7,9H2,1-5H3.
What are the key properties of 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 146039804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).