2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one

C14H17N3O — CID 114283497

IUPAC2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one
SMILESCc1ncc(C(=O)C(C)(N)c2ccccc2)n1C
InChIInChI=1S/C14H17N3O/c1-10-16-9-12(17(10)3)13(18)14(2,15)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3
InChIKeyTYJGWABIHLBDIK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one

2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one (PubChem CID 114283497) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one
PubChem CID114283497
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one
SMILESCc1ncc(C(=O)C(C)(N)c2ccccc2)n1C
InChIInChI=1S/C14H17N3O/c1-10-16-9-12(17(10)3)13(18)14(2,15)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3
InChIKeyTYJGWABIHLBDIK-UHFFFAOYSA-N
XLogP1.79
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-methylimidazol-2-yl)-2-phenylpropan-1-one
CID 116563836
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
3-(2,2-difluoro-2-phenylethyl)-2-methylimidazole-4-carboxylic acid
CID 116789774
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
CID 114668919
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
1-(2,3-dimethylimidazol-4-yl)-2-methylprop-2-en-1-one
CID 130518910
(2,3-dimethylimidazol-4-yl)-(3-methylthiophen-2-yl)methanone
CID 130519219
2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide
CID 102805572
2-[(2,3-dimethylimidazol-4-yl)-hydroxymethyl]benzoic acid
CID 175228818
2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
CID 120597117
2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one
CID 116563828

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one (CID 114283497) is 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one is Cc1ncc(C(=O)C(C)(N)c2ccccc2)n1C.
What is the InChIKey of 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one?
The InChIKey is TYJGWABIHLBDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-16-9-12(17(10)3)13(18)14(2,15)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3.
What are the key properties of 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one?
2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one has a molecular weight of 243.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethylimidazol-4-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 114283497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).