N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide

C13H15N3O — CID 70479516

IUPACN-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C13H15N3O/c1-9(16-10(2)17)11-4-3-5-12(6-11)13-7-14-8-15-13/h3-9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyUHGLCGRNLHOZJB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.27
Rot. Bonds3

About N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide

N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide (PubChem CID 70479516) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide
PubChem CID70479516
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C13H15N3O/c1-9(16-10(2)17)11-4-3-5-12(6-11)13-7-14-8-15-13/h3-9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyUHGLCGRNLHOZJB-UHFFFAOYSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620
(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 166182918
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
CID 69090482
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 126428144
3-(1H-imidazol-5-yl)-N'-methylbenzenecarboximidamide;hydrochloride
CID 45261804
2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide
CID 58739161

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide (CID 70479516) is N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide is CC(=O)NC(C)c1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide?
The InChIKey is UHGLCGRNLHOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(16-10(2)17)11-4-3-5-12(6-11)13-7-14-8-15-13/h3-9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide?
N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 70479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).