2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one

C13H15N3O — CID 116563836

IUPAC2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one
SMILESCn1ccnc1C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-13(14,10-6-4-3-5-7-10)11(17)12-15-8-9-16(12)2/h3-9H,14H2,1-2H3
InChIKeyNLQUGRZUZUNSTB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one

2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one (PubChem CID 116563836) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one
PubChem CID116563836
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one
SMILESCn1ccnc1C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-13(14,10-6-4-3-5-7-10)11(17)12-15-8-9-16(12)2/h3-9H,14H2,1-2H3
InChIKeyNLQUGRZUZUNSTB-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one (CID 116563836) is 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one is Cn1ccnc1C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one?
The InChIKey is NLQUGRZUZUNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(14,10-6-4-3-5-7-10)11(17)12-15-8-9-16(12)2/h3-9H,14H2,1-2H3.
What are the key properties of 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one?
2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 116563836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).