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

C20H22ClN3O — CID 45271499

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O/c21-19-7-3-4-16(12-19)13-24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,13-15H2
InChIKeyVASQQZAFIQDBHR-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.59
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45271499) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45271499
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O/c21-19-7-3-4-16(12-19)13-24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,13-15H2
InChIKeyVASQQZAFIQDBHR-UHFFFAOYSA-N
XLogP3.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 44517726
1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45267261
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-Benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45272412
1-[(2,5-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45272415
(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368581
(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368648
4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 134799550
1-[(3-Chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 4204376
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 134793475
N-[2-(2-chloro-4-fluorophenyl)-2-(dimethylamino)ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 134307042

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45271499) is 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is VASQQZAFIQDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-19-7-3-4-16(12-19)13-24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,13-15H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 355.87 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45271499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).