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
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1
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
MW390.31 g/mol
LogP4.25
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 390.31 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 Weight390.31 g/mol
Exact Mass389.11
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1
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
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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Related Compounds

(S)-N-(3,4-dichlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418542
1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45267262
1-[(2-Chlorophenyl)methyl]-3-[2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]-2-imidazolidinone
CID 45269860
1-[(3-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45271499
1-[(2,5-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45272415
1,3-Bis[(3,4-dichlorophenyl)methyl]imidazolidine
CID 44456851
1-[2-[1-(3,4-Dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one
CID 67357359
1-[(3,4-Dichlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 21394005
2-(3,4-Dichlorophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]ethanone
CID 21653517
(3aS,6aR)-2-benzyl-N-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 52934028
1-(1-Benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylurea
CID 53234320
1-(1-Benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea
CID 53235496

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 O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1.
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 390.31 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-[(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).