3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile

C16H13N3O2 — CID 103567182

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C16H13N3O2/c1-20-14-6-12(9-17)7-15(8-14)21-11-13-10-19-5-3-2-4-16(19)18-13/h2-8,10H,11H2,1H3
InChIKeyOUXRGKZGZDTHHK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.79
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile (PubChem CID 103567182) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile
PubChem CID103567182
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C16H13N3O2/c1-20-14-6-12(9-17)7-15(8-14)21-11-13-10-19-5-3-2-4-16(19)18-13/h2-8,10H,11H2,1H3
InChIKeyOUXRGKZGZDTHHK-UHFFFAOYSA-N
XLogP2.79
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 852438
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 61267731
2-(3-cyanophenoxy)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 56537373
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863
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
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile (CID 103567182) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile is COc1cc(C#N)cc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile?
The InChIKey is OUXRGKZGZDTHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-14-6-12(9-17)7-15(8-14)21-11-13-10-19-5-3-2-4-16(19)18-13/h2-8,10H,11H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile is sourced from PubChem (CID 103567182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).