N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C10H11F3N4O2 — CID 138034311

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCN1CC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1=O
InChIInChI=1S/C10H11F3N4O2/c1-17-3-5(2-6(17)18)16-9(19)7-8(10(11,12)13)15-4-14-7/h4-5H,2-3H2,1H3,(H,14,15)(H,16,19)
InChIKeyKRFMGNXULRCJOS-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.39
Rot. Bonds2

About N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 138034311) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID138034311
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCN1CC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1=O
InChIInChI=1S/C10H11F3N4O2/c1-17-3-5(2-6(17)18)16-9(19)7-8(10(11,12)13)15-4-14-7/h4-5H,2-3H2,1H3,(H,14,15)(H,16,19)
InChIKeyKRFMGNXULRCJOS-UHFFFAOYSA-N
XLogP0.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethimizol
CID 6168
N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
CID 101504
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
4-N,4-N,5-N,5-N-tetraethyl-1H-imidazole-4,5-dicarboxamide
CID 44141956
5-(3-methylbut-2-enyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione
CID 85913694
Desmethyletimizol
CID 130883
5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
CID 509073
5-(2-piperidin-1-ylethyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione
CID 44564742
N-(2-sulfanylethyl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 177680474
Propylnorantifein
CID 160681
1H-Imidazole-4,5-dicarboxamide, N,N'-dibutyl-
CID 551896
N-succinyl-5-aminoimidazole-4-carboxamide
CID 129721715

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 138034311) is N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CN1CC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is KRFMGNXULRCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-17-3-5(2-6(17)18)16-9(19)7-8(10(11,12)13)15-4-14-7/h4-5H,2-3H2,1H3,(H,14,15)(H,16,19).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138034311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).