2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C19H19N3O — CID 39127587

IUPAC2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1cccc2nc(-c3ccc(OC(C)C)cc3)c(CC#N)n12
InChIInChI=1S/C19H19N3O/c1-13(2)23-16-9-7-15(8-10-16)19-17(11-12-20)22-14(3)5-4-6-18(22)21-19/h4-10,13H,11H2,1-3H3
InChIKeyIEMUWXWDAHXIDI-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.16
Rot. Bonds4

About 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 39127587) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID39127587
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1cccc2nc(-c3ccc(OC(C)C)cc3)c(CC#N)n12
InChIInChI=1S/C19H19N3O/c1-13(2)23-16-9-7-15(8-10-16)19-17(11-12-20)22-14(3)5-4-6-18(22)21-19/h4-10,13H,11H2,1-3H3
InChIKeyIEMUWXWDAHXIDI-UHFFFAOYSA-N
XLogP4.16
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 39126201
[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199340
[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199222
3-[5-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035083
2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030178
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062473
3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine
CID 82029806
[2-(3,4-dichlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199318
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 39127587) is 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is Cc1cccc2nc(-c3ccc(OC(C)C)cc3)c(CC#N)n12.
What is the InChIKey of 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is IEMUWXWDAHXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(2)23-16-9-7-15(8-10-16)19-17(11-12-20)22-14(3)5-4-6-18(22)21-19/h4-10,13H,11H2,1-3H3.
What are the key properties of 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 305.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 39127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).