5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one

C11H15N3O — CID 105457665

IUPAC5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cccc(CN)c1
InChIInChI=1S/C11H15N3O/c1-14-10(7-13-11(14)15)9-4-2-3-8(5-9)6-12/h2-5,10H,6-7,12H2,1H3,(H,13,15)
InChIKeyTUQXPWSKDSZNFY-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.84
Rot. Bonds2

About 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one

5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one (PubChem CID 105457665) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
PubChem CID105457665
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cccc(CN)c1
InChIInChI=1S/C11H15N3O/c1-14-10(7-13-11(14)15)9-4-2-3-8(5-9)6-12/h2-5,10H,6-7,12H2,1H3,(H,13,15)
InChIKeyTUQXPWSKDSZNFY-UHFFFAOYSA-N
XLogP0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one (CID 105457665) is 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one is CN1C(=O)NCC1c1cccc(CN)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one?
The InChIKey is TUQXPWSKDSZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-10(7-13-11(14)15)9-4-2-3-8(5-9)6-12/h2-5,10H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one?
5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 105457665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).