1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one

C16H19F3N2O — CID 68906858

IUPAC1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC(C)C1(c2ccccc2C(F)(F)F)CNC(=O)N1C1CC1
InChIInChI=1S/C16H19F3N2O/c1-10(2)15(9-20-14(22)21(15)11-7-8-11)12-5-3-4-6-13(12)16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,22)
InChIKeyRCOWHFVRQPGNNU-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.74
Rot. Bonds3

About 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one

1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 68906858) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID68906858
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC(C)C1(c2ccccc2C(F)(F)F)CNC(=O)N1C1CC1
InChIInChI=1S/C16H19F3N2O/c1-10(2)15(9-20-14(22)21(15)11-7-8-11)12-5-3-4-6-13(12)16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,22)
InChIKeyRCOWHFVRQPGNNU-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 68906858) is 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one is CC(C)C1(c2ccccc2C(F)(F)F)CNC(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is RCOWHFVRQPGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-10(2)15(9-20-14(22)21(15)11-7-8-11)12-5-3-4-6-13(12)16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 312.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-propan-2-yl-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 68906858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).