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

C15H21N3O — CID 117402473

IUPAC1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccccc2C2(CN)CCC2)C1=O
InChIInChI=1S/C15H21N3O/c1-17-9-10-18(14(17)19)13-6-3-2-5-12(13)15(11-16)7-4-8-15/h2-3,5-6H,4,7-11,16H2,1H3
InChIKeyNEXKSAFDUVEVNZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.94
Rot. Bonds3

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

1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 117402473) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one
PubChem CID117402473
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccccc2C2(CN)CCC2)C1=O
InChIInChI=1S/C15H21N3O/c1-17-9-10-18(14(17)19)13-6-3-2-5-12(13)15(11-16)7-4-8-15/h2-3,5-6H,4,7-11,16H2,1H3
InChIKeyNEXKSAFDUVEVNZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one (CID 117402473) is 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccccc2C2(CN)CCC2)C1=O.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is NEXKSAFDUVEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-9-10-18(14(17)19)13-6-3-2-5-12(13)15(11-16)7-4-8-15/h2-3,5-6H,4,7-11,16H2,1H3.
What are the key properties of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one?
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 117402473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).