N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H15F3N4O2 — CID 63939857

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-18(6-9-16-2-3-17-9)11(21)8-4-10(20)19(5-8)7-12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyJBJKALLIINUOFB-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.78
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63939857) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63939857
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c1-18(6-9-16-2-3-17-9)11(21)8-4-10(20)19(5-8)7-12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyJBJKALLIINUOFB-UHFFFAOYSA-N
XLogP0.78
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-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

2-[2-(dimethylamino)ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 126781440
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129370499
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55862893
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 126427764
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 155505877
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-cyclohexyl-N-ethyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78859850
(3S)-5-oxo-N-phenyl-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 52663130

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63939857) is N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is JBJKALLIINUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-18(6-9-16-2-3-17-9)11(21)8-4-10(20)19(5-8)7-12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63939857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).