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

C16H13N3O — CID 103760082

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C16H13N3O/c1-12-5-6-13(9-17)8-15(12)20-11-14-10-19-7-3-2-4-16(19)18-14/h2-8,10H,11H2,1H3
InChIKeyAZWIWNUSOIKIHU-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.09
Rot. Bonds3

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile (PubChem CID 103760082) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
PubChem CID103760082
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C16H13N3O/c1-12-5-6-13(9-17)8-15(12)20-11-14-10-19-7-3-2-4-16(19)18-14/h2-8,10H,11H2,1H3
InChIKeyAZWIWNUSOIKIHU-UHFFFAOYSA-N
XLogP3.09
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 852438
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methoxybenzonitrile
CID 103567182
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 61267731
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-[(2-bromo-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 28602482
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
4-(imidazo[1,2-a]pyridin-2-ylmethyl)benzonitrile
CID 102282894
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methylphenyl]ethanamine
CID 60888457
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile (CID 103760082) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile is Cc1ccc(C#N)cc1OCc1cn2ccccc2n1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile?
The InChIKey is AZWIWNUSOIKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-12-5-6-13(9-17)8-15(12)20-11-14-10-19-7-3-2-4-16(19)18-14/h2-8,10H,11H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile is sourced from PubChem (CID 103760082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).