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

C19H20ClN3O — CID 44517726

IUPAC1-(3-chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESC1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl
InChIInChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2
InChIKeyTZQRQWWAQZCVET-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.80
Rot. Bonds4

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

1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 44517726) has the molecular formula C19H20ClN3O and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID44517726
Molecular FormulaC19H20ClN3O
Molecular Weight341.80 g/mol
Exact Mass341.13
IUPAC Name1-(3-chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESC1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl
InChIInChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2
InChIKeyTZQRQWWAQZCVET-UHFFFAOYSA-N
XLogP2.80
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity446

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 44517726) is 1-(3-chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is C1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl.
What is the InChIKey of 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is TZQRQWWAQZCVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 341.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 44517726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).