3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one

C11H18N4O — CID 81469967

IUPAC3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCn2ccnc2)C1
InChIInChI=1S/C11H18N4O/c1-12-10-2-6-15(8-10)11(16)3-5-14-7-4-13-9-14/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyUAKXWLGAOANLKT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.09
Rot. Bonds4

About 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 81469967) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID81469967
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCn2ccnc2)C1
InChIInChI=1S/C11H18N4O/c1-12-10-2-6-15(8-10)11(16)3-5-14-7-4-13-9-14/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyUAKXWLGAOANLKT-UHFFFAOYSA-N
XLogP0.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-[(3R,4R,5aS,9aR)-4-hydroxy-4-methyl-3-(methylamino)-2,3,5,5a,6,8,9,9a-octahydrooxepino[3,2-c]pyridin-7-yl]-3-imidazol-1-ylpropan-1-one
CID 110125051
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104632
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484917
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one (CID 81469967) is 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one is CNC1CCN(C(=O)CCn2ccnc2)C1.
What is the InChIKey of 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UAKXWLGAOANLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-10-2-6-15(8-10)11(16)3-5-14-7-4-13-9-14/h4,7,9-10,12H,2-3,5-6,8H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 81469967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).