2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile

C14H16N4 — CID 60696333

IUPAC2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)Cc1nccn1C
InChIInChI=1S/C14H16N4/c1-17(11-14-16-7-8-18(14)2)10-13-6-4-3-5-12(13)9-15/h3-8H,10-11H2,1-2H3
InChIKeyDOTWRCPYYJTBAT-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.92
Rot. Bonds4

About 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile (PubChem CID 60696333) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
PubChem CID60696333
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)Cc1nccn1C
InChIInChI=1S/C14H16N4/c1-17(11-14-16-7-8-18(14)2)10-13-6-4-3-5-12(13)9-15/h3-8H,10-11H2,1-2H3
InChIKeyDOTWRCPYYJTBAT-UHFFFAOYSA-N
XLogP1.92
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile 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

4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol
CID 63024735
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 65344219
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
2-fluoro-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115558
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 47984172
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile (CID 60696333) is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile is CN(Cc1ccccc1C#N)Cc1nccn1C.
What is the InChIKey of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is DOTWRCPYYJTBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17(11-14-16-7-8-18(14)2)10-13-6-4-3-5-12(13)9-15/h3-8H,10-11H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 60696333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).