1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride

C11H19ClF3N3O — CID 120905299

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride
SMILESCC1(CN2CC(=O)N(CC(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C11H18F3N3O.ClH/c1-10(2-3-15-5-10)6-16-4-9(18)17(8-16)7-11(12,13)14;/h15H,2-8H2,1H3;1H
InChIKeyGJKAFEAXYGBEDL-UHFFFAOYSA-N
MW301.74 g/mol
LogP1.07
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride (PubChem CID 120905299) has the molecular formula C11H19ClF3N3O and a molecular weight of 301.74 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride
PubChem CID120905299
Molecular FormulaC11H19ClF3N3O
Molecular Weight301.74 g/mol
Exact Mass301.12
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride
SMILESCC1(CN2CC(=O)N(CC(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C11H18F3N3O.ClH/c1-10(2-3-15-5-10)6-16-4-9(18)17(8-16)7-11(12,13)14;/h15H,2-8H2,1H3;1H
InChIKeyGJKAFEAXYGBEDL-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride (CID 120905299) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride is CC1(CN2CC(=O)N(CC(F)(F)F)C2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride?
The InChIKey is GJKAFEAXYGBEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O.ClH/c1-10(2-3-15-5-10)6-16-4-9(18)17(8-16)7-11(12,13)14;/h15H,2-8H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride has a molecular weight of 301.74 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride is sourced from PubChem (CID 120905299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).