2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one

C15H20F2N2O2 — CID 115282278

IUPAC2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2ccc(OC(F)F)cc2)N(C)C1=O
InChIInChI=1S/C15H20F2N2O2/c1-9(2)8-12-14(20)19(3)13(18-12)10-4-6-11(7-5-10)21-15(16)17/h4-7,9,12-13,15,18H,8H2,1-3H3
InChIKeyVBRPUKQTXQAXAZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one

2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 115282278) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID115282278
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2ccc(OC(F)F)cc2)N(C)C1=O
InChIInChI=1S/C15H20F2N2O2/c1-9(2)8-12-14(20)19(3)13(18-12)10-4-6-11(7-5-10)21-15(16)17/h4-7,9,12-13,15,18H,8H2,1-3H3
InChIKeyVBRPUKQTXQAXAZ-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 115282278) is 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(c2ccc(OC(F)F)cc2)N(C)C1=O.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is VBRPUKQTXQAXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(2)8-12-14(20)19(3)13(18-12)10-4-6-11(7-5-10)21-15(16)17/h4-7,9,12-13,15,18H,8H2,1-3H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one?
2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 298.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 115282278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).