3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide

C11H15F3N4O2 — CID 138034273

IUPAC3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)(F)F)C2)[nH]c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-5-8(16-10(17)20)9(19)15-7-2-3-18(4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3,(H,15,19)(H,16,20)
InChIKeyWSGFRFLBUYXDGB-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.08
Rot. Bonds3

About 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide

3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 138034273) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide
PubChem CID138034273
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)(F)F)C2)[nH]c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-5-8(16-10(17)20)9(19)15-7-2-3-18(4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3,(H,15,19)(H,16,20)
InChIKeyWSGFRFLBUYXDGB-UHFFFAOYSA-N
XLogP0.08
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide (CID 138034273) is 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide is Cn1cc(C(=O)NC2CCN(CC(F)(F)F)C2)[nH]c1=O.
What is the InChIKey of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is WSGFRFLBUYXDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17-5-8(16-10(17)20)9(19)15-7-2-3-18(4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3,(H,15,19)(H,16,20).
What are the key properties of 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138034273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).