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

C15H18N4O — CID 66403439

IUPAC4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCOCCNCc1nccn1Cc1ccc(C#N)cc1
InChIInChI=1S/C15H18N4O/c1-20-9-7-17-11-15-18-6-8-19(15)12-14-4-2-13(10-16)3-5-14/h2-6,8,17H,7,9,11-12H2,1H3
InChIKeyIFWMWNRRPZQSHP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.54
Rot. Bonds7

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

4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 66403439) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID66403439
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCOCCNCc1nccn1Cc1ccc(C#N)cc1
InChIInChI=1S/C15H18N4O/c1-20-9-7-17-11-15-18-6-8-19(15)12-14-4-2-13(10-16)3-5-14/h2-6,8,17H,7,9,11-12H2,1H3
InChIKeyIFWMWNRRPZQSHP-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

4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 66401699
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile (CID 66403439) is 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile is COCCNCc1nccn1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is IFWMWNRRPZQSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-9-7-17-11-15-18-6-8-19(15)12-14-4-2-13(10-16)3-5-14/h2-6,8,17H,7,9,11-12H2,1H3.
What are the key properties of 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
4-[[2-[(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 4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 66403439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).