1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

C20H22ClN3O — CID 45267262

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESC1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)CC4=CC=C(C=C4)Cl
InChIInChI=1S/C20H22ClN3O/c21-19-7-5-16(6-8-19)13-24-12-11-23(20(24)25)10-9-22-14-17-3-1-2-4-18(17)15-22/h1-8H,9-15H2
InChIKeyGJGAZYGASNPFFE-UHFFFAOYSA-N
MW355.90 g/mol
LogP2.70
Rot. Bonds5

About 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45267262) has the molecular formula C20H22ClN3O and a molecular weight of 355.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45267262
Molecular FormulaC20H22ClN3O
Molecular Weight355.90 g/mol
Exact Mass355.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESC1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)CC4=CC=C(C=C4)Cl
InChIInChI=1S/C20H22ClN3O/c21-19-7-5-16(6-8-19)13-24-12-11-23(20(24)25)10-9-22-14-17-3-1-2-4-18(17)15-22/h1-8H,9-15H2
InChIKeyGJGAZYGASNPFFE-UHFFFAOYSA-N
XLogP2.70
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity452

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.90
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]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-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45267262) is 1-[(4-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is C1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)CC4=CC=C(C=C4)Cl.
What is the InChIKey of 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is GJGAZYGASNPFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-19-7-5-16(6-8-19)13-24-12-11-23(20(24)25)10-9-22-14-17-3-1-2-4-18(17)15-22/h1-8H,9-15H2.
What are the key properties of 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 355.90 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45267262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).