2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile

C24H18N4 — CID 123672442

IUPAC2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
SMILESN#Cc1ccccc1CN(Cc1ccccc1C#N)Cc1ccccc1C#N
InChIInChI=1S/C24H18N4/c25-13-19-7-1-4-10-22(19)16-28(17-23-11-5-2-8-20(23)14-26)18-24-12-6-3-9-21(24)15-27/h1-12H,16-18H2
InChIKeyMOKAFZCZCFFTFD-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.50
Rot. Bonds6

About 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile

2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile (PubChem CID 123672442) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
PubChem CID123672442
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
SMILESN#Cc1ccccc1CN(Cc1ccccc1C#N)Cc1ccccc1C#N
InChIInChI=1S/C24H18N4/c25-13-19-7-1-4-10-22(19)16-28(17-23-11-5-2-8-20(23)14-26)18-24-12-6-3-9-21(24)15-27/h1-12H,16-18H2
InChIKeyMOKAFZCZCFFTFD-UHFFFAOYSA-N
XLogP4.50
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
2-(2-bromoethyl)benzonitrile
CID 57227888
4-[2-carboxyethyl-[(2-cyanophenyl)methyl]amino]butanoic acid
CID 82327931
3-[(2-cyanophenyl)methyl-propylamino]propanoic acid
CID 82327915
2-(iodomethyl)benzonitrile
CID 64788563
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-[[butan-2-yl(ethyl)amino]methyl]benzonitrile
CID 43274527
2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656617
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440

Frequently Asked Questions

What is the IUPAC name of 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile (CID 123672442) is 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile is N#Cc1ccccc1CN(Cc1ccccc1C#N)Cc1ccccc1C#N.
What is the InChIKey of 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile?
The InChIKey is MOKAFZCZCFFTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c25-13-19-7-1-4-10-22(19)16-28(17-23-11-5-2-8-20(23)14-26)18-24-12-6-3-9-21(24)15-27/h1-12H,16-18H2.
What are the key properties of 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile?
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile has a molecular weight of 362.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 123672442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).