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

C14H16N4 — CID 60696115

IUPAC3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1nccn1C
InChIInChI=1S/C14H16N4/c1-17(11-14-16-6-7-18(14)2)10-13-5-3-4-12(8-13)9-15/h3-8H,10-11H2,1-2H3
InChIKeyXBVBOWLULPIQBT-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.92
Rot. Bonds4

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

3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile (PubChem CID 60696115) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
PubChem CID60696115
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1nccn1C
InChIInChI=1S/C14H16N4/c1-17(11-14-16-6-7-18(14)2)10-13-5-3-4-12(8-13)9-15/h3-8H,10-11H2,1-2H3
InChIKeyXBVBOWLULPIQBT-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

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Related Compounds

3-[3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propoxy]benzonitrile
CID 63015009
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 65344219
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
3-[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]prop-2-enoic acid
CID 76985350
3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
CID 65476778
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 62968285
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408
3-[[(5-bromofuran-2-yl)methyl-methylamino]methyl]benzonitrile
CID 37421336
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile (CID 60696115) is 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)Cc1nccn1C.
What is the InChIKey of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is XBVBOWLULPIQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17(11-14-16-6-7-18(14)2)10-13-5-3-4-12(8-13)9-15/h3-8H,10-11H2,1-2H3.
What are the key properties of 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
3-[[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 3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 60696115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).