2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C12H20N4O — CID 114707048

IUPAC2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(N)c1cncn1C(C)C(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-9(13)11-7-14-8-16(11)10(2)12(17)15-5-3-4-6-15/h7-10H,3-6,13H2,1-2H3
InChIKeySSKJKACMPFKMIU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.09
Rot. Bonds3

About 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114707048) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114707048
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(N)c1cncn1C(C)C(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-9(13)11-7-14-8-16(11)10(2)12(17)15-5-3-4-6-15/h7-10H,3-6,13H2,1-2H3
InChIKeySSKJKACMPFKMIU-UHFFFAOYSA-N
XLogP1.09
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
CID 114707108
2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide
CID 104943573
1-(azepan-1-yl)-2-chloro-2-(3-propan-2-ylimidazol-4-yl)ethanone
CID 66164349
1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
CID 114707115
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721687
2-(3-amino-1,2,4-triazol-1-yl)-1-(azepan-1-yl)propan-1-one
CID 54929712
2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
CID 66131489
1-(azepan-1-yl)-2-chloro-2-(3-propylimidazol-4-yl)ethanone
CID 66130362
2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 114707083
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 104943658
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 114707048) is 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(N)c1cncn1C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SSKJKACMPFKMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13)11-7-14-8-16(11)10(2)12(17)15-5-3-4-6-15/h7-10H,3-6,13H2,1-2H3.
What are the key properties of 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 236.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114707048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).