1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one

C17H24ClN3O — CID 45267270

IUPAC1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESCC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H24ClN3O/c1-14-5-2-3-8-19(14)9-10-20-11-12-21(17(20)22)16-7-4-6-15(18)13-16/h4,6-7,13-14H,2-3,5,8-12H2,1H3
InChIKeyILLQMENNVJLGMH-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 45267270) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID45267270
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESCC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H24ClN3O/c1-14-5-2-3-8-19(14)9-10-20-11-12-21(17(20)22)16-7-4-6-15(18)13-16/h4,6-7,13-14H,2-3,5,8-12H2,1H3
InChIKeyILLQMENNVJLGMH-UHFFFAOYSA-N
XLogP3.46
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 46881463
1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one
CID 19933178
1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one
CID 19102614
1-(3-chlorophenyl)-3-[2-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one
CID 90629864
4-(3-chlorophenyl)-6-[3-(2-methylpiperidin-1-yl)propyl]-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46127932
1-(3-chlorophenyl)-3-[(3-ethyl-5-methylimidazol-4-yl)methyl]imidazolidin-2-one
CID 19933175
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708840
1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634938

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one (CID 45267270) is 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one is CC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is ILLQMENNVJLGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-14-5-2-3-8-19(14)9-10-20-11-12-21(17(20)22)16-7-4-6-15(18)13-16/h4,6-7,13-14H,2-3,5,8-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 321.85 g/mol, XLogP of 3.46, 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-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45267270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).