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

C12H12N4 — CID 62981408

IUPAC3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1nccn1C
InChIInChI=1S/C12H12N4/c1-15-7-6-14-12(15)16(2)11-5-3-4-10(8-11)9-13/h3-8H,1-2H3
InChIKeyMURLGFALSJEQDH-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.06
Rot. Bonds2

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

3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile (PubChem CID 62981408) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
PubChem CID62981408
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1nccn1C
InChIInChI=1S/C12H12N4/c1-15-7-6-14-12(15)16(2)11-5-3-4-10(8-11)9-13/h3-8H,1-2H3
InChIKeyMURLGFALSJEQDH-UHFFFAOYSA-N
XLogP2.06
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-(1-methylimidazol-2-yl)amino]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

3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
CID 62982275
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile
CID 79947007
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372194
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696115
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]benzonitrile
CID 103002508
3-[3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propoxy]benzonitrile
CID 63015009
3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 62980884
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile (CID 62981408) is 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile is CN(c1cccc(C#N)c1)c1nccn1C.
What is the InChIKey of 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile?
The InChIKey is MURLGFALSJEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-15-7-6-14-12(15)16(2)11-5-3-4-10(8-11)9-13/h3-8H,1-2H3.
What are the key properties of 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile?
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile is sourced from PubChem (CID 62981408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).