2-amino-1-imidazol-1-yl-3-phenylpropan-1-one

C12H13N3O — CID 110463444

IUPAC2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)n1ccnc1
InChIInChI=1S/C12H13N3O/c13-11(8-10-4-2-1-3-5-10)12(16)15-7-6-14-9-15/h1-7,9,11H,8,13H2
InChIKeyBNKLQNOLEZRFFU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one

2-amino-1-imidazol-1-yl-3-phenylpropan-1-one (PubChem CID 110463444) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
PubChem CID110463444
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)n1ccnc1
InChIInChI=1S/C12H13N3O/c13-11(8-10-4-2-1-3-5-10)12(16)15-7-6-14-9-15/h1-7,9,11H,8,13H2
InChIKeyBNKLQNOLEZRFFU-UHFFFAOYSA-N
XLogP1.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-1-one
CID 54055858
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-phenylethyl imidazole-1-carboxylate
CID 15371420
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
benzyl N-[(1S)-1-amino-3-imidazol-1-yl-3-oxopropyl]carbamate
CID 167081038
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one (CID 110463444) is 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)n1ccnc1.
What is the InChIKey of 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one?
The InChIKey is BNKLQNOLEZRFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-11(8-10-4-2-1-3-5-10)12(16)15-7-6-14-9-15/h1-7,9,11H,8,13H2.
What are the key properties of 2-amino-1-imidazol-1-yl-3-phenylpropan-1-one?
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one has a molecular weight of 215.26 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-amino-1-imidazol-1-yl-3-phenylpropan-1-one is sourced from PubChem (CID 110463444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).