N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide

C13H15N3O — CID 175743937

IUPACN-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H15N3O/c1-10(15-11(2)17)12-4-3-5-13(8-12)16-7-6-14-9-16/h3-10H,1-2H3,(H,15,17)
InChIKeyJNJYLHMPPVNJHD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.07
Rot. Bonds3

About N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide

N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide (PubChem CID 175743937) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
PubChem CID175743937
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C13H15N3O/c1-10(15-11(2)17)12-4-3-5-13(8-12)16-7-6-14-9-16/h3-10H,1-2H3,(H,15,17)
InChIKeyJNJYLHMPPVNJHD-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782892
(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 75407981
1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
CID 71990747
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119899677
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide (CID 175743937) is N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide is CC(=O)NC(C)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is JNJYLHMPPVNJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(15-11(2)17)12-4-3-5-13(8-12)16-7-6-14-9-16/h3-10H,1-2H3,(H,15,17).
What are the key properties of N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide?
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 175743937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).