3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile

C17H15ClN4 — CID 86931108

IUPAC3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C17H15ClN4/c1-21(9-14-4-2-3-13(7-14)8-19)11-16-12-22-10-15(18)5-6-17(22)20-16/h2-7,10,12H,9,11H2,1H3
InChIKeyPJIRSCRZKQOHNO-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.49
Rot. Bonds4

About 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile

3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile (PubChem CID 86931108) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile
PubChem CID86931108
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C17H15ClN4/c1-21(9-14-4-2-3-13(7-14)8-19)11-16-12-22-10-15(18)5-6-17(22)20-16/h2-7,10,12H,9,11H2,1H3
InChIKeyPJIRSCRZKQOHNO-UHFFFAOYSA-N
XLogP3.49
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-prop-2-enylurea
CID 86864338
3-[[(6-hydrazinyl-2-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 79232014
3-[[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-methylamino]methyl]benzonitrile
CID 55628284
[3-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 43248734
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile
CID 26218203
3-[[(4-iodophenyl)methyl-methylamino]methyl]benzonitrile
CID 65476778
3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
CID 86931123
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696115
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
CID 61370835
N-(3-cyanophenyl)-2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
CID 53014432
3-[[2-(2,5-dichlorophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 112820101

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile (CID 86931108) is 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile?
The InChIKey is PJIRSCRZKQOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-21(9-14-4-2-3-13(7-14)8-19)11-16-12-22-10-15(18)5-6-17(22)20-16/h2-7,10,12H,9,11H2,1H3.
What are the key properties of 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile?
3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile has a molecular weight of 310.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]methyl]benzonitrile is sourced from PubChem (CID 86931108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).