1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

C20H21Cl2N3O — CID 45272415

IUPAC1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H21Cl2N3O/c21-18-5-6-19(22)17(11-18)14-25-10-9-24(20(25)26)8-7-23-12-15-3-1-2-4-16(15)13-23/h1-6,11H,7-10,12-14H2
InChIKeyVANBZHNBQWYEMT-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.25
Rot. Bonds5

About 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45272415) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45272415
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H21Cl2N3O/c21-18-5-6-19(22)17(11-18)14-25-10-9-24(20(25)26)8-7-23-12-15-3-1-2-4-16(15)13-23/h1-6,11H,7-10,12-14H2
InChIKeyVANBZHNBQWYEMT-UHFFFAOYSA-N
XLogP4.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45272415) is 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is VANBZHNBQWYEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-18-5-6-19(22)17(11-18)14-25-10-9-24(20(25)26)8-7-23-12-15-3-1-2-4-16(15)13-23/h1-6,11H,7-10,12-14H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 390.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45272415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).