[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine

C17H19N3O — CID 82223591

IUPAC[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCOc1cccc(Cc2nc3cccc(C)n3c2CN)c1
InChIInChI=1S/C17H19N3O/c1-12-5-3-8-17-19-15(16(11-18)20(12)17)10-13-6-4-7-14(9-13)21-2/h3-9H,10-11,18H2,1-2H3
InChIKeyYTHMPYJVKBAWQS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.70
Rot. Bonds4

About [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine

[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 82223591) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID82223591
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCOc1cccc(Cc2nc3cccc(C)n3c2CN)c1
InChIInChI=1S/C17H19N3O/c1-12-5-3-8-17-19-15(16(11-18)20(12)17)10-13-6-4-7-14(9-13)21-2/h3-9H,10-11,18H2,1-2H3
InChIKeyYTHMPYJVKBAWQS-UHFFFAOYSA-N
XLogP2.70
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine (CID 82223591) is [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine is COc1cccc(Cc2nc3cccc(C)n3c2CN)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is YTHMPYJVKBAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-3-8-17-19-15(16(11-18)20(12)17)10-13-6-4-7-14(9-13)21-2/h3-9H,10-11,18H2,1-2H3.
What are the key properties of [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 82223591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).