3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one

C10H12F3N3O2 — CID 138016784

IUPAC3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
SMILESCn1c(C(=O)N2CCC[C@H]2C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H12F3N3O2/c1-15-6(5-14-9(15)18)8(17)16-4-2-3-7(16)10(11,12)13/h5,7H,2-4H2,1H3,(H,14,18)/t7-/m0/s1
InChIKeyPILDBPRSDHNGCP-ZETCQYMHSA-N
MW263.22 g/mol
LogP0.88
Rot. Bonds1

About 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one

3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one (PubChem CID 138016784) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
PubChem CID138016784
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
SMILESCn1c(C(=O)N2CCC[C@H]2C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H12F3N3O2/c1-15-6(5-14-9(15)18)8(17)16-4-2-3-7(16)10(11,12)13/h5,7H,2-4H2,1H3,(H,14,18)/t7-/m0/s1
InChIKeyPILDBPRSDHNGCP-ZETCQYMHSA-N
XLogP0.88
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
The IUPAC name of 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one (CID 138016784) is 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one is Cn1c(C(=O)N2CCC[C@H]2C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
The InChIKey is PILDBPRSDHNGCP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-15-6(5-14-9(15)18)8(17)16-4-2-3-7(16)10(11,12)13/h5,7H,2-4H2,1H3,(H,14,18)/t7-/m0/s1.
What are the key properties of 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one has a molecular weight of 263.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one is sourced from PubChem (CID 138016784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).