1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one

C12H20N4O — CID 55114701

IUPAC1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1ncc(CNC(C)CN2CCCC2=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-9(8-16-5-3-4-12(16)17)13-6-11-7-14-10(2)15-11/h7,9,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyARJQNYGTSMUYBH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 55114701) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID55114701
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1ncc(CNC(C)CN2CCCC2=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-9(8-16-5-3-4-12(16)17)13-6-11-7-14-10(2)15-11/h7,9,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyARJQNYGTSMUYBH-UHFFFAOYSA-N
XLogP0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 94184895
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one (CID 55114701) is 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one is Cc1ncc(CNC(C)CN2CCCC2=O)[nH]1.
What is the InChIKey of 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is ARJQNYGTSMUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(8-16-5-3-4-12(16)17)13-6-11-7-14-10(2)15-11/h7,9,13H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 55114701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).