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

C12H16ClN3O — CID 28738658

IUPAC1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O/c13-11-3-1-10(2-4-11)9-14-5-7-16-8-6-15-12(16)17/h1-4,14H,5-9H2,(H,15,17)
InChIKeyFTROQKGRRLUQQX-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.45
Rot. Bonds5

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

1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 28738658) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID28738658
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O/c13-11-3-1-10(2-4-11)9-14-5-7-16-8-6-15-12(16)17/h1-4,14H,5-9H2,(H,15,17)
InChIKeyFTROQKGRRLUQQX-UHFFFAOYSA-N
XLogP1.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28970678
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 107230430
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one
CID 81353835
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
CID 106046612
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 56704037
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
1-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]imidazolidin-2-one
CID 112669012
1-[2-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]imidazolidin-2-one
CID 106399247

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one (CID 28738658) is 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is FTROQKGRRLUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-3-1-10(2-4-11)9-14-5-7-16-8-6-15-12(16)17/h1-4,14H,5-9H2,(H,15,17).
What are the key properties of 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 253.73 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 28738658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).