4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile

C15H12N4 — CID 81463540

IUPAC4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cn3ccc(CN)cc3n2)cc1
InChIInChI=1S/C15H12N4/c16-8-11-1-3-13(4-2-11)14-10-19-6-5-12(9-17)7-15(19)18-14/h1-7,10H,9,17H2
InChIKeyHGDJJJLPJPQUFT-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.33
Rot. Bonds2

About 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 81463540) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID81463540
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cn3ccc(CN)cc3n2)cc1
InChIInChI=1S/C15H12N4/c16-8-11-1-3-13(4-2-11)14-10-19-6-5-12(9-17)7-15(19)18-14/h1-7,10H,9,17H2
InChIKeyHGDJJJLPJPQUFT-UHFFFAOYSA-N
XLogP2.33
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 81463540) is 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile is N#Cc1ccc(-c2cn3ccc(CN)cc3n2)cc1.
What is the InChIKey of 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is HGDJJJLPJPQUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-8-11-1-3-13(4-2-11)14-10-19-6-5-12(9-17)7-15(19)18-14/h1-7,10H,9,17H2.
What are the key properties of 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 81463540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).