2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid

C18H18N2O3 — CID 57261502

IUPAC2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1nc2c(OCc3ccccc3)cccn2c1C(C)C(=O)O
InChIInChI=1S/C18H18N2O3/c1-12(18(21)22)16-13(2)19-17-15(9-6-10-20(16)17)23-11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyNWSICBKKVULLPP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid

2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid (PubChem CID 57261502) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
PubChem CID57261502
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCc1nc2c(OCc3ccccc3)cccn2c1C(C)C(=O)O
InChIInChI=1S/C18H18N2O3/c1-12(18(21)22)16-13(2)19-17-15(9-6-10-20(16)17)23-11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyNWSICBKKVULLPP-UHFFFAOYSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid (CID 57261502) is 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid is Cc1nc2c(OCc3ccccc3)cccn2c1C(C)C(=O)O.
What is the InChIKey of 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The InChIKey is NWSICBKKVULLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(18(21)22)16-13(2)19-17-15(9-6-10-20(16)17)23-11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid?
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid has a molecular weight of 310.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 57261502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).