1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide

C11H15F3N4O — CID 56789695

IUPAC1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-5-3-16-9(18)6-17-4-1-2-8(17)10(15)19/h3,5,8H,1-2,4,6-7H2,(H2,15,19)
InChIKeyCWEPJYFWOIKNBH-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.90
Rot. Bonds4

About 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide

1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56789695) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID56789695
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-5-3-16-9(18)6-17-4-1-2-8(17)10(15)19/h3,5,8H,1-2,4,6-7H2,(H2,15,19)
InChIKeyCWEPJYFWOIKNBH-UHFFFAOYSA-N
XLogP0.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide
CID 56787451
N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 71846554
(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-propan-2-ylpropanamide
CID 95249762
(5S)-5-propan-2-yl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]imidazolidine-2,4-dione
CID 97564455
(2R)-N~1~-[(1-isopropyl-1H-imidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 122571974
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178027
(2S)-N-[2-(1H-imidazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 57509101
N-[(2S)-1-oxo-1-[2-[[(3S)-1,1,1-trifluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]pentan-2-yl]-1H-imidazole-2-carboxamide
CID 90756768
1-(1,1,3-Trifluoropropan-2-yl)imidazole-2-carboxamide
CID 118357000
1-[3-(Methylamino)pyrrolidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 139544031

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide (CID 56789695) is 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1nccn1CC(F)(F)F.
What is the InChIKey of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CWEPJYFWOIKNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)7-18-5-3-16-9(18)6-17-4-1-2-8(17)10(15)19/h3,5,8H,1-2,4,6-7H2,(H2,15,19).
What are the key properties of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56789695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).