1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide

C13H19F3N4O — CID 67547945

IUPAC1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCC(C)(CN1CCCC1)n1cc(C(N)=O)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-12(2,8-19-5-3-4-6-19)20-7-9(10(17)21)18-11(20)13(14,15)16/h7H,3-6,8H2,1-2H3,(H2,17,21)
InChIKeyKSGPYICFCCRXLZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide

1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 67547945) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID67547945
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCC(C)(CN1CCCC1)n1cc(C(N)=O)nc1C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-12(2,8-19-5-3-4-6-19)20-7-9(10(17)21)18-11(20)13(14,15)16/h7H,3-6,8H2,1-2H3,(H2,17,21)
InChIKeyKSGPYICFCCRXLZ-UHFFFAOYSA-N
XLogP1.83
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide (CID 67547945) is 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide is CC(C)(CN1CCCC1)n1cc(C(N)=O)nc1C(F)(F)F.
What is the InChIKey of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is KSGPYICFCCRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-12(2,8-19-5-3-4-6-19)20-7-9(10(17)21)18-11(20)13(14,15)16/h7H,3-6,8H2,1-2H3,(H2,17,21).
What are the key properties of 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 67547945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).