2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one

C16H23N3O2 — CID 83252581

IUPAC2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
SMILESCOc1ccc(C2NC(C)C(=O)N2C2CCN(C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-16(20)19(13-8-9-18(2)10-13)15(17-11)12-4-6-14(21-3)7-5-12/h4-7,11,13,15,17H,8-10H2,1-3H3
InChIKeyHMEHPKQMBGPLJC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one

2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one (PubChem CID 83252581) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
PubChem CID83252581
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
SMILESCOc1ccc(C2NC(C)C(=O)N2C2CCN(C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-16(20)19(13-8-9-18(2)10-13)15(17-11)12-4-6-14(21-3)7-5-12/h4-7,11,13,15,17H,8-10H2,1-3H3
InChIKeyHMEHPKQMBGPLJC-UHFFFAOYSA-N
XLogP1.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one (CID 83252581) is 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one is COc1ccc(C2NC(C)C(=O)N2C2CCN(C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The InChIKey is HMEHPKQMBGPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-16(20)19(13-8-9-18(2)10-13)15(17-11)12-4-6-14(21-3)7-5-12/h4-7,11,13,15,17H,8-10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83252581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).