1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one

C16H20ClN3O2 — CID 4204376

IUPAC1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCCC1
InChIInChI=1S/C16H20ClN3O2/c17-14-5-3-4-13(10-14)11-19-8-9-20(16(19)22)12-15(21)18-6-1-2-7-18/h3-5,10H,1-2,6-9,11-12H2
InChIKeyLIMDWQUAQCFDRO-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.20
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one

1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one (PubChem CID 4204376) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
PubChem CID4204376
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCCC1
InChIInChI=1S/C16H20ClN3O2/c17-14-5-3-4-13(10-14)11-19-8-9-20(16(19)22)12-15(21)18-6-1-2-7-18/h3-5,10H,1-2,6-9,11-12H2
InChIKeyLIMDWQUAQCFDRO-UHFFFAOYSA-N
XLogP2.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
3-[(3-Chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726683
2-[3-(3-Chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
CID 2767592
[3-(2-Chlorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3237557
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 3240085
N-{2-[benzyl(methyl)amino]ethyl}-2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3241689
1-[(3-Methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 3584883
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 9550162
(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418512
1-[(3-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45271499
N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2084824
2-[3-(3-Chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetamide
CID 2767611

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one (CID 4204376) is 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one is O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The InChIKey is LIMDWQUAQCFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-14-5-3-4-13(10-14)11-19-8-9-20(16(19)22)12-15(21)18-6-1-2-7-18/h3-5,10H,1-2,6-9,11-12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
1-[(3-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one has a molecular weight of 321.81 g/mol, XLogP of 2.20, 4 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-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one is sourced from PubChem (CID 4204376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).