2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine

C21H25N3O — CID 166362312

IUPAC2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1cccc(C2(C)CCN(Cc3cn4cccc(C)c4n3)C2)c1
InChIInChI=1S/C21H25N3O/c1-16-6-5-10-24-14-18(22-20(16)24)13-23-11-9-21(2,15-23)17-7-4-8-19(12-17)25-3/h4-8,10,12,14H,9,11,13,15H2,1-3H3
InChIKeyBHVWALVACBLOTM-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.81
Rot. Bonds4

About 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine

2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 166362312) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID166362312
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1cccc(C2(C)CCN(Cc3cn4cccc(C)c4n3)C2)c1
InChIInChI=1S/C21H25N3O/c1-16-6-5-10-24-14-18(22-20(16)24)13-23-11-9-21(2,15-23)17-7-4-8-19(12-17)25-3/h4-8,10,12,14H,9,11,13,15H2,1-3H3
InChIKeyBHVWALVACBLOTM-UHFFFAOYSA-N
XLogP3.81
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine (CID 166362312) is 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine is COc1cccc(C2(C)CCN(Cc3cn4cccc(C)c4n3)C2)c1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is BHVWALVACBLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-6-5-10-24-14-18(22-20(16)24)13-23-11-9-21(2,15-23)17-7-4-8-19(12-17)25-3/h4-8,10,12,14H,9,11,13,15H2,1-3H3.
What are the key properties of 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine?
2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 335.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)-3-methylpyrrolidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 166362312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).