1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide

C12H19N5O2 — CID 118419224

IUPAC1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide
SMILESCCn1c(C2CCCN2)nc(C(=O)NC)c1C(N)=O
InChIInChI=1S/C12H19N5O2/c1-3-17-9(10(13)18)8(12(19)14-2)16-11(17)7-5-4-6-15-7/h7,15H,3-6H2,1-2H3,(H2,13,18)(H,14,19)
InChIKeyHSCNEYNJGBQIBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.21
Rot. Bonds4

About 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide

1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide (PubChem CID 118419224) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide
PubChem CID118419224
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide
SMILESCCn1c(C2CCCN2)nc(C(=O)NC)c1C(N)=O
InChIInChI=1S/C12H19N5O2/c1-3-17-9(10(13)18)8(12(19)14-2)16-11(17)7-5-4-6-15-7/h7,15H,3-6H2,1-2H3,(H2,13,18)(H,14,19)
InChIKeyHSCNEYNJGBQIBQ-UHFFFAOYSA-N
XLogP-0.21
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethimizol
CID 6168
Ait-034
CID 135484546
N4,N4,N5,N5-tetraethyl-1-methylimidazole-4,5-dicarboxamide
CID 44201399
N4,N5,1-Trimethyl-1H-imidazole-4,5-dicarboxamide
CID 120428
Desmethyletimizol
CID 130883
Imidazo(1,2-a)pyridine-2,3-dicarboxamide, 5,6,7,8-tetrahydro-N,N'-diethyl-7-methyl-
CID 218310
(5S)-N,N-diethyl-5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 51358882
(6R)-N,N-diethyl-6-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 51358883
Propylnorantifein
CID 160681
1-Allylnorantifeine
CID 3081986
1,3-Dimethyl-7H,8H-imidazo[1,5-A]pyrazin-8-one
CID 53172207
3-ethyl-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CID 53172208

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide (CID 118419224) is 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide is CCn1c(C2CCCN2)nc(C(=O)NC)c1C(N)=O.
What is the InChIKey of 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide?
The InChIKey is HSCNEYNJGBQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-17-9(10(13)18)8(12(19)14-2)16-11(17)7-5-4-6-15-7/h7,15H,3-6H2,1-2H3,(H2,13,18)(H,14,19).
What are the key properties of 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide?
1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-N-methyl-2-pyrrolidin-2-ylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).