1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one

C13H18ClN3O — CID 81353835

IUPAC1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one
SMILESC[C@H](NCCN1CCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O/c1-10(11-2-4-12(14)5-3-11)15-6-8-17-9-7-16-13(17)18/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyLCWPERDIBVHGIT-JTQLQIEISA-N
MW267.76 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one

1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one (PubChem CID 81353835) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one
PubChem CID81353835
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one
SMILESC[C@H](NCCN1CCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O/c1-10(11-2-4-12(14)5-3-11)15-6-8-17-9-7-16-13(17)18/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyLCWPERDIBVHGIT-JTQLQIEISA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]imidazolidin-2-one
CID 81406832
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
CID 65313305
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
CID 63291811
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one
CID 54964422
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one (CID 81353835) is 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one is C[C@H](NCCN1CCNC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is LCWPERDIBVHGIT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(11-2-4-12(14)5-3-11)15-6-8-17-9-7-16-13(17)18/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one?
1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 81353835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).