3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile

C14H16N4 — CID 62352424

IUPAC3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
SMILESCCn1ccnc1CNc1cc(C#N)ccc1C
InChIInChI=1S/C14H16N4/c1-3-18-7-6-16-14(18)10-17-13-8-12(9-15)5-4-11(13)2/h4-8,17H,3,10H2,1-2H3
InChIKeyBJJDGANWBSMIAH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds4

About 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile

3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile (PubChem CID 62352424) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
PubChem CID62352424
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
SMILESCCn1ccnc1CNc1cc(C#N)ccc1C
InChIInChI=1S/C14H16N4/c1-3-18-7-6-16-14(18)10-17-13-8-12(9-15)5-4-11(13)2/h4-8,17H,3,10H2,1-2H3
InChIKeyBJJDGANWBSMIAH-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile 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-(ethylamino)-4-methylbenzonitrile
CID 62105760
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]benzonitrile
CID 64772889
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250
2-methyl-5-nitro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955785
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
4-methyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzonitrile
CID 55114175
3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 61212795
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-4-methylbenzonitrile
CID 115997344
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile (CID 62352424) is 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile is CCn1ccnc1CNc1cc(C#N)ccc1C.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile?
The InChIKey is BJJDGANWBSMIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-18-7-6-16-14(18)10-17-13-8-12(9-15)5-4-11(13)2/h4-8,17H,3,10H2,1-2H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile?
3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 62352424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).