naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate

C19H14N2O2 — CID 7246898

IUPACnaphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1cn2ccccc2n1
InChIInChI=1S/C19H14N2O2/c22-19(17-12-21-11-4-3-10-18(21)20-17)23-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2
InChIKeyODVTWWMBRLCWCX-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.84
Rot. Bonds3

About naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate

naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246898) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246898
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Namenaphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1cn2ccccc2n1
InChIInChI=1S/C19H14N2O2/c22-19(17-12-21-11-4-3-10-18(21)20-17)23-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2
InChIKeyODVTWWMBRLCWCX-UHFFFAOYSA-N
XLogP3.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate (CID 7246898) is naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate is O=C(OCc1cccc2ccccc12)c1cn2ccccc2n1.
What is the InChIKey of naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ODVTWWMBRLCWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(17-12-21-11-4-3-10-18(21)20-17)23-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2.
What are the key properties of naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate?
naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).