1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one

C14H21N3O — CID 117371623

IUPAC1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one
SMILESCC(CCN)c1ccc(N2CCN(C)C2=O)cc1
InChIInChI=1S/C14H21N3O/c1-11(7-8-15)12-3-5-13(6-4-12)17-10-9-16(2)14(17)18/h3-6,11H,7-10,15H2,1-2H3
InChIKeyWIOFZBIJICQYME-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.01
Rot. Bonds4

About 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one

1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one (PubChem CID 117371623) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one
PubChem CID117371623
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one
SMILESCC(CCN)c1ccc(N2CCN(C)C2=O)cc1
InChIInChI=1S/C14H21N3O/c1-11(7-8-15)12-3-5-13(6-4-12)17-10-9-16(2)14(17)18/h3-6,11H,7-10,15H2,1-2H3
InChIKeyWIOFZBIJICQYME-UHFFFAOYSA-N
XLogP2.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one (CID 117371623) is 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one is CC(CCN)c1ccc(N2CCN(C)C2=O)cc1.
What is the InChIKey of 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one?
The InChIKey is WIOFZBIJICQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(7-8-15)12-3-5-13(6-4-12)17-10-9-16(2)14(17)18/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one?
1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminobutan-2-yl)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 117371623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).