N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide

C14H13N3O — CID 65231264

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C14H13N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,8-9H2,(H,15,17)(H,16,18)
InChIKeyZHRXGXCXVNPJPH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.12
Rot. Bonds3

About N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide (PubChem CID 65231264) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
PubChem CID65231264
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C14H13N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,8-9H2,(H,15,17)(H,16,18)
InChIKeyZHRXGXCXVNPJPH-UHFFFAOYSA-N
XLogP1.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide 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

2-(1H-imidazol-5-yl)ethylurea
CID 10582986
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 112532409
2-(3-hydroxyprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231168
2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 104833760
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
3-(4-hydroxybut-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231169
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide
CID 107487504
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide (CID 65231264) is N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide?
The InChIKey is ZHRXGXCXVNPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,8-9H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide has a molecular weight of 239.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 65231264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).