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

C20H21Cl2N3O — CID 45267261

IUPAC1-[(3,4-dichlorophenyl)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)Cl
InChIInChI=1S/C20H21Cl2N3O/c21-18-6-5-15(11-19(18)22)12-25-10-9-24(20(25)26)8-7-23-13-16-3-1-2-4-17(16)14-23/h1-6,11H,7-10,12-14H2
InChIKeyOJGCUCNESMAFSG-UHFFFAOYSA-N
MW390.30 g/mol
LogP3.40
Rot. Bonds5

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

1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45267261) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.30 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45267261
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.30 g/mol
Exact Mass389.11
IUPAC Name1-[(3,4-dichlorophenyl)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)Cl
InChIInChI=1S/C20H21Cl2N3O/c21-18-6-5-15(11-19(18)22)12-25-10-9-24(20(25)26)8-7-23-13-16-3-1-2-4-17(16)14-23/h1-6,11H,7-10,12-14H2
InChIKeyOJGCUCNESMAFSG-UHFFFAOYSA-N
XLogP3.40
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity491

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45267261) is 1-[(3,4-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3,4-Dichlorophenyl)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)Cl.
What is the InChIKey of 1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is OJGCUCNESMAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-18-6-5-15(11-19(18)22)12-25-10-9-24(20(25)26)8-7-23-13-16-3-1-2-4-17(16)14-23/h1-6,11H,7-10,12-14H2.
What are the key properties of 1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 390.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45267261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).