3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione

C14H18ClN3O2 — CID 56819750

IUPAC3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
SMILESCC(NCCCN1C(=O)CNC1=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-10(11-5-2-3-6-12(11)15)16-7-4-8-18-13(19)9-17-14(18)20/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,17,20)
InChIKeyGRMNSPRFCKACEQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.93
Rot. Bonds6

About 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione

3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione (PubChem CID 56819750) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
PubChem CID56819750
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
SMILESCC(NCCCN1C(=O)CNC1=O)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-10(11-5-2-3-6-12(11)15)16-7-4-8-18-13(19)9-17-14(18)20/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,17,20)
InChIKeyGRMNSPRFCKACEQ-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide
CID 94036457
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43080661
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28649407
N-[(1S)-1-(2-chlorophenyl)ethyl]pent-4-yn-1-amine
CID 103916408
1-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111830519
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
CID 91642461
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666747

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione (CID 56819750) is 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione is CC(NCCCN1C(=O)CNC1=O)c1ccccc1Cl.
What is the InChIKey of 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione?
The InChIKey is GRMNSPRFCKACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(11-5-2-3-6-12(11)15)16-7-4-8-18-13(19)9-17-14(18)20/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,17,20).
What are the key properties of 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione?
3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione has a molecular weight of 295.77 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56819750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).