1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one

C17H24ClN3O — CID 45271510

IUPAC1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESCC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C17H24ClN3O/c1-14-5-7-19(8-6-14)9-10-20-11-12-21(17(20)22)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3
InChIKeyICZBTJKIVJMPIF-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 45271510) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID45271510
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESCC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C17H24ClN3O/c1-14-5-7-19(8-6-14)9-10-20-11-12-21(17(20)22)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3
InChIKeyICZBTJKIVJMPIF-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-phenyl)-imidazolidin-2-one
CID 10807044
N-(4-chlorophenyl)-N'-[2-(1-piperidinyl)ethyl]urea
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1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-phenyl)-imidazolidin-2-one
CID 9839497
1-(3-Chloro-phenyl)-3-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-imidazolidin-2-one
CID 20081921
1-(3-Chloro-phenyl)-3-(9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-imidazolidin-2-one
CID 20081924
1-(4-Chlorophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 22430335
Clodazon
CID 20883
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one (CID 45271510) is 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one is CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is ICZBTJKIVJMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-14-5-7-19(8-6-14)9-10-20-11-12-21(17(20)22)16-4-2-3-15(18)13-16/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 321.85 g/mol, XLogP of 3.31, 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-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45271510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).