3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C18H24N4O — CID 119954161

IUPAC3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nccn1CC1CCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-14-20-9-11-21(14)13-16-8-5-10-22(16)18(23)12-17(19)15-6-3-2-4-7-15/h2-4,6-7,9,11,16-17H,5,8,10,12-13,19H2,1H3
InChIKeyIORSHQWUIUEDKI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.27
Rot. Bonds5

About 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119954161) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID119954161
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nccn1CC1CCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-14-20-9-11-21(14)13-16-8-5-10-22(16)18(23)12-17(19)15-6-3-2-4-7-15/h2-4,6-7,9,11,16-17H,5,8,10,12-13,19H2,1H3
InChIKeyIORSHQWUIUEDKI-UHFFFAOYSA-N
XLogP2.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119897763
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119897750
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 124616194
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 119954161) is 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is Cc1nccn1CC1CCCN1C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IORSHQWUIUEDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-20-9-11-21(14)13-16-8-5-10-22(16)18(23)12-17(19)15-6-3-2-4-7-15/h2-4,6-7,9,11,16-17H,5,8,10,12-13,19H2,1H3.
What are the key properties of 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119954161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).