4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile

C15H11N3O — CID 852438

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H11N3O/c16-9-12-4-6-14(7-5-12)19-11-13-10-18-8-2-1-3-15(18)17-13/h1-8,10H,11H2
InChIKeyBLNIPPJKIFWUPQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.78
Rot. Bonds3

About 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile (PubChem CID 852438) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
PubChem CID852438
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H11N3O/c16-9-12-4-6-14(7-5-12)19-11-13-10-18-8-2-1-3-15(18)17-13/h1-8,10H,11H2
InChIKeyBLNIPPJKIFWUPQ-UHFFFAOYSA-N
XLogP2.78
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile
CID 103567182
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082
4-(imidazo[1,2-a]pyridin-2-ylmethyl)benzonitrile
CID 102282894
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile
CID 26218203
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 61267731
2-[(1-propylpyrazol-4-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 116804906
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
2-(3-cyanophenoxy)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 56537373

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile (CID 852438) is 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
The InChIKey is BLNIPPJKIFWUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-9-12-4-6-14(7-5-12)19-11-13-10-18-8-2-1-3-15(18)17-13/h1-8,10H,11H2.
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile?
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 852438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).