2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile

C14H16N4O — CID 65232443

IUPAC2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H16N4O/c15-6-8-19-14-3-1-12(2-4-14)9-16-7-5-13-10-17-11-18-13/h1-4,10-11,16H,5,7-9H2,(H,17,18)
InChIKeyGICJENPVBGGKQR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds7

About 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile

2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile (PubChem CID 65232443) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile
PubChem CID65232443
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccc(CNCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H16N4O/c15-6-8-19-14-3-1-12(2-4-14)9-16-7-5-13-10-17-11-18-13/h1-4,10-11,16H,5,7-9H2,(H,17,18)
InChIKeyGICJENPVBGGKQR-UHFFFAOYSA-N
XLogP1.64
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile 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-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
3-[[4-(cyanomethoxy)phenyl]methylamino]propanenitrile
CID 43221535
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile
CID 43221883
2-[4-[(1H-imidazol-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63821073
2-[4-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 106169750
2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 63332310
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
2-[4-[(pent-3-ynylamino)methyl]phenoxy]acetonitrile
CID 116643067
2-[4-[(prop-2-ynylamino)methyl]phenoxy]acetonitrile
CID 43221239
2-[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenoxy]acetonitrile
CID 62635400

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile (CID 65232443) is 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile is N#CCOc1ccc(CNCCc2cnc[nH]2)cc1.
What is the InChIKey of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile?
The InChIKey is GICJENPVBGGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-6-8-19-14-3-1-12(2-4-14)9-16-7-5-13-10-17-11-18-13/h1-4,10-11,16H,5,7-9H2,(H,17,18).
What are the key properties of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile?
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 65232443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).