2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile

C15H18N4O — CID 106720568

IUPAC2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCOCCNCc1cn(Cc2ccccc2C#N)cn1
InChIInChI=1S/C15H18N4O/c1-20-7-6-17-9-15-11-19(12-18-15)10-14-5-3-2-4-13(14)8-16/h2-5,11-12,17H,6-7,9-10H2,1H3
InChIKeyKMMXQZTVSRYLAC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.54
Rot. Bonds7

About 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile

2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 106720568) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID106720568
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCOCCNCc1cn(Cc2ccccc2C#N)cn1
InChIInChI=1S/C15H18N4O/c1-20-7-6-17-9-15-11-19(12-18-15)10-14-5-3-2-4-13(14)8-16/h2-5,11-12,17H,6-7,9-10H2,1H3
InChIKeyKMMXQZTVSRYLAC-UHFFFAOYSA-N
XLogP1.54
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720446
2-[(4-methylimidazol-1-yl)methyl]benzonitrile
CID 68674077
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720495
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106720444
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
2-[2-(2-methoxyethylamino)ethyl]benzonitrile
CID 107937029
N-[[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720607

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile (CID 106720568) is 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile is COCCNCc1cn(Cc2ccccc2C#N)cn1.
What is the InChIKey of 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is KMMXQZTVSRYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-7-6-17-9-15-11-19(12-18-15)10-14-5-3-2-4-13(14)8-16/h2-5,11-12,17H,6-7,9-10H2,1H3.
What are the key properties of 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 106720568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).