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

C20H27N3O2 — CID 169419039

IUPAC5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCOc1cc(C)c(-c2nccn2CC2CCC(=O)N2)cc1C(C)C
InChIInChI=1S/C20H27N3O2/c1-5-25-18-10-14(4)17(11-16(18)13(2)3)20-21-8-9-23(20)12-15-6-7-19(24)22-15/h8-11,13,15H,5-7,12H2,1-4H3,(H,22,24)
InChIKeyQRRZYHNAKKKADG-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.66
Rot. Bonds6

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

5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 169419039) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID169419039
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCOc1cc(C)c(-c2nccn2CC2CCC(=O)N2)cc1C(C)C
InChIInChI=1S/C20H27N3O2/c1-5-25-18-10-14(4)17(11-16(18)13(2)3)20-21-8-9-23(20)12-15-6-7-19(24)22-15/h8-11,13,15H,5-7,12H2,1-4H3,(H,22,24)
InChIKeyQRRZYHNAKKKADG-UHFFFAOYSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one (CID 169419039) is 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one is CCOc1cc(C)c(-c2nccn2CC2CCC(=O)N2)cc1C(C)C.
What is the InChIKey of 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is QRRZYHNAKKKADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-25-18-10-14(4)17(11-16(18)13(2)3)20-21-8-9-23(20)12-15-6-7-19(24)22-15/h8-11,13,15H,5-7,12H2,1-4H3,(H,22,24).
What are the key properties of 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169419039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).