1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one

C12H17N3O — CID 83822158

IUPAC1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccccc2CCN)C1=O
InChIInChI=1S/C12H17N3O/c1-14-8-9-15(12(14)16)11-5-3-2-4-10(11)6-7-13/h2-5H,6-9,13H2,1H3
InChIKeyQYYGYUKEWVVIBF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.06
Rot. Bonds3

About 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one

1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one (PubChem CID 83822158) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
PubChem CID83822158
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccccc2CCN)C1=O
InChIInChI=1S/C12H17N3O/c1-14-8-9-15(12(14)16)11-5-3-2-4-10(11)6-7-13/h2-5H,6-9,13H2,1H3
InChIKeyQYYGYUKEWVVIBF-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one (CID 83822158) is 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccccc2CCN)C1=O.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one?
The InChIKey is QYYGYUKEWVVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-8-9-15(12(14)16)11-5-3-2-4-10(11)6-7-13/h2-5H,6-9,13H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one?
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 83822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).