1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one

C17H23N3O2 — CID 3584883

IUPAC1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
SMILESCc1cccc(CN2CCN(CC(=O)N3CCCC3)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-14-5-4-6-15(11-14)12-19-9-10-20(17(19)22)13-16(21)18-7-2-3-8-18/h4-6,11H,2-3,7-10,12-13H2,1H3
InChIKeyBTGJYEXDWOZLNU-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.86
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one

1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one (PubChem CID 3584883) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
PubChem CID3584883
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
SMILESCc1cccc(CN2CCN(CC(=O)N3CCCC3)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-14-5-4-6-15(11-14)12-19-9-10-20(17(19)22)13-16(21)18-7-2-3-8-18/h4-6,11H,2-3,7-10,12-13H2,1H3
InChIKeyBTGJYEXDWOZLNU-UHFFFAOYSA-N
XLogP1.86
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one (CID 3584883) is 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one is Cc1cccc(CN2CCN(CC(=O)N3CCCC3)C2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The InChIKey is BTGJYEXDWOZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-5-4-6-15(11-14)12-19-9-10-20(17(19)22)13-16(21)18-7-2-3-8-18/h4-6,11H,2-3,7-10,12-13H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one is sourced from PubChem (CID 3584883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).