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

C11H15F3N4O — CID 119876342

IUPACN-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1nccn1CC(F)(F)F)C1CCCN1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-5-4-16-9(18)6-17-10(19)8-2-1-3-15-8/h4-5,8,15H,1-3,6-7H2,(H,17,19)
InChIKeyNXTTUBBZOREGOC-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.81
Rot. Bonds4

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

N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119876342) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID119876342
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1nccn1CC(F)(F)F)C1CCCN1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-5-4-16-9(18)6-17-10(19)8-2-1-3-15-8/h4-5,8,15H,1-3,6-7H2,(H,17,19)
InChIKeyNXTTUBBZOREGOC-UHFFFAOYSA-N
XLogP0.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
1-cyclopentyl-2-methyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119116693
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide
CID 138000209
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847050
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 137067137
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119324335

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide (CID 119876342) is N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1nccn1CC(F)(F)F)C1CCCN1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NXTTUBBZOREGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)7-18-5-4-16-9(18)6-17-10(19)8-2-1-3-15-8/h4-5,8,15H,1-3,6-7H2,(H,17,19).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).