1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one

C15H21N3O2 — CID 115512912

IUPAC1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
SMILESNc1ccccc1N1CCN(CC2CCOCC2)C1=O
InChIInChI=1S/C15H21N3O2/c16-13-3-1-2-4-14(13)18-8-7-17(15(18)19)11-12-5-9-20-10-6-12/h1-4,12H,5-11,16H2
InChIKeyANWPCBZJOHBETC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one

1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one (PubChem CID 115512912) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
PubChem CID115512912
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
SMILESNc1ccccc1N1CCN(CC2CCOCC2)C1=O
InChIInChI=1S/C15H21N3O2/c16-13-3-1-2-4-14(13)18-8-7-17(15(18)19)11-12-5-9-20-10-6-12/h1-4,12H,5-11,16H2
InChIKeyANWPCBZJOHBETC-UHFFFAOYSA-N
XLogP1.94
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one (CID 115512912) is 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one is Nc1ccccc1N1CCN(CC2CCOCC2)C1=O.
What is the InChIKey of 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one?
The InChIKey is ANWPCBZJOHBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-13-3-1-2-4-14(13)18-8-7-17(15(18)19)11-12-5-9-20-10-6-12/h1-4,12H,5-11,16H2.
What are the key properties of 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one?
1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 115512912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).