2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid

C18H18N2O3 — CID 82055757

IUPAC2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
SMILESCCCOc1cccn2c(CC(=O)O)c(-c3ccccc3)nc12
InChIInChI=1S/C18H18N2O3/c1-2-11-23-15-9-6-10-20-14(12-16(21)22)17(19-18(15)20)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyHSRYGURSMKBZIS-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid

2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid (PubChem CID 82055757) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
PubChem CID82055757
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
SMILESCCCOc1cccn2c(CC(=O)O)c(-c3ccccc3)nc12
InChIInChI=1S/C18H18N2O3/c1-2-11-23-15-9-6-10-20-14(12-16(21)22)17(19-18(15)20)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyHSRYGURSMKBZIS-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid (CID 82055757) is 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid is CCCOc1cccn2c(CC(=O)O)c(-c3ccccc3)nc12.
What is the InChIKey of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid?
The InChIKey is HSRYGURSMKBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-11-23-15-9-6-10-20-14(12-16(21)22)17(19-18(15)20)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid?
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid has a molecular weight of 310.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 82055757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).