3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile

C14H16N4 — CID 61212795

IUPAC3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
SMILESCc1cc(C#N)ccc1NCCc1nccn1C
InChIInChI=1S/C14H16N4/c1-11-9-12(10-15)3-4-13(11)16-6-5-14-17-7-8-18(14)2/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyQJGLIMPHNQZCDJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile

3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile (PubChem CID 61212795) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
PubChem CID61212795
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
SMILESCc1cc(C#N)ccc1NCCc1nccn1C
InChIInChI=1S/C14H16N4/c1-11-9-12(10-15)3-4-13(11)16-6-5-14-17-7-8-18(14)2/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyQJGLIMPHNQZCDJ-UHFFFAOYSA-N
XLogP2.25
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]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-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 104711813
4-acetyl-3-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 133456950
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527611
4-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 63081748
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
2-bromo-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 107276228
3-methyl-4-(2-methylsulfanylethylamino)benzonitrile
CID 63965457
3-methyl-4-(2,2,2-trifluoroethylamino)benzonitrile
CID 60930131

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile?
The IUPAC name of 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile (CID 61212795) is 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile is Cc1cc(C#N)ccc1NCCc1nccn1C.
What is the InChIKey of 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile?
The InChIKey is QJGLIMPHNQZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-9-12(10-15)3-4-13(11)16-6-5-14-17-7-8-18(14)2/h3-4,7-9,16H,5-6H2,1-2H3.
What are the key properties of 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile?
3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 61212795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).