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

C14H16N4 — CID 55048804

IUPAC4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
SMILESCCNCc1nccn1Cc1ccc(C#N)cc1
InChIInChI=1S/C14H16N4/c1-2-16-10-14-17-7-8-18(14)11-13-5-3-12(9-15)4-6-13/h3-8,16H,2,10-11H2,1H3
InChIKeySPFGFVYHSSYJDA-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.91
Rot. Bonds5

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

4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 55048804) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
PubChem CID55048804
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
SMILESCCNCc1nccn1Cc1ccc(C#N)cc1
InChIInChI=1S/C14H16N4/c1-2-16-10-14-17-7-8-18(14)11-13-5-3-12(9-15)4-6-13/h3-8,16H,2,10-11H2,1H3
InChIKeySPFGFVYHSSYJDA-UHFFFAOYSA-N
XLogP1.91
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
4-[[2-[(4-methylsulfonylphenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561532
1-[(4-cyanophenyl)methyl]imidazole-2-carboxylic acid
CID 91437687
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile (CID 55048804) is 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile is CCNCc1nccn1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is SPFGFVYHSSYJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-16-10-14-17-7-8-18(14)11-13-5-3-12(9-15)4-6-13/h3-8,16H,2,10-11H2,1H3.
What are the key properties of 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile?
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 55048804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).