2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C16H24N4O — CID 23002640

IUPAC2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(Cc1ccc(C2NCCN2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C16H24N4O/c17-14(16(21)20-9-1-2-10-20)11-12-3-5-13(6-4-12)15-18-7-8-19-15/h3-6,14-15,18-19H,1-2,7-11,17H2
InChIKeyQEQWNMCLDXGXKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.37
Rot. Bonds4

About 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one

2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 23002640) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID23002640
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESNC(Cc1ccc(C2NCCN2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C16H24N4O/c17-14(16(21)20-9-1-2-10-20)11-12-3-5-13(6-4-12)15-18-7-8-19-15/h3-6,14-15,18-19H,1-2,7-11,17H2
InChIKeyQEQWNMCLDXGXKW-UHFFFAOYSA-N
XLogP0.37
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155
acetonitrile;(2S)-2-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904143
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
(2S)-2-amino-1-(azocan-1-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 61148033
2-amino-3-[4-[[methyl(propyl)amino]methyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 21070228

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 23002640) is 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one is NC(Cc1ccc(C2NCCN2)cc1)C(=O)N1CCCC1.
What is the InChIKey of 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QEQWNMCLDXGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-14(16(21)20-9-1-2-10-20)11-12-3-5-13(6-4-12)15-18-7-8-19-15/h3-6,14-15,18-19H,1-2,7-11,17H2.
What are the key properties of 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-imidazolidin-2-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 23002640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).