1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one

C13H16F3N3O — CID 107522455

IUPAC1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CC(N)c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H16F3N3O/c1-18-6-7-19(12(18)20)8-11(17)9-2-4-10(5-3-9)13(14,15)16/h2-5,11H,6-8,17H2,1H3
InChIKeyNTCWXAZVRUUZDZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one

1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one (PubChem CID 107522455) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one
PubChem CID107522455
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CC(N)c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H16F3N3O/c1-18-6-7-19(12(18)20)8-11(17)9-2-4-10(5-3-9)13(14,15)16/h2-5,11H,6-8,17H2,1H3
InChIKeyNTCWXAZVRUUZDZ-UHFFFAOYSA-N
XLogP2.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one (CID 107522455) is 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one is CN1CCN(CC(N)c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one?
The InChIKey is NTCWXAZVRUUZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-18-6-7-19(12(18)20)8-11(17)9-2-4-10(5-3-9)13(14,15)16/h2-5,11H,6-8,17H2,1H3.
What are the key properties of 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one?
1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 107522455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).