3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one

C14H16N2O — CID 116691859

IUPAC3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
SMILESCCc1nccn1CCC(=O)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-2-14-15-9-11-16(14)10-8-13(17)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyVNBBAMLYMCIYCA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.72
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one

3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one (PubChem CID 116691859) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
PubChem CID116691859
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
SMILESCCc1nccn1CCC(=O)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-2-14-15-9-11-16(14)10-8-13(17)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyVNBBAMLYMCIYCA-UHFFFAOYSA-N
XLogP2.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
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1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone
CID 61405257
2-(2-ethylimidazol-1-yl)-1-(4-iodophenyl)ethanone
CID 61405166
2,2-bis[3-(2-ethylimidazol-1-yl)propanoyloxymethyl]butyl 3-(2-ethylimidazol-1-yl)propanoate
CID 168787285
(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70757023
4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
CID 65248356
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
CID 124954504
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 131889023
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770993

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one (CID 116691859) is 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one is CCc1nccn1CCC(=O)c1ccccc1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one?
The InChIKey is VNBBAMLYMCIYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-14-15-9-11-16(14)10-8-13(17)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one?
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 116691859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).