bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride

C28H28Cl2N4O3 — CID 3051120

IUPACbis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride
SMILESCOc1ccc(-c2cn3ccccc3n2)cc1.COc1ccc(-c2cn3ccccc3n2)cc1.Cl.Cl.O
InChIInChI=1S/2C14H12N2O.2ClH.H2O/c2*1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13;;;/h2*2-10H,1H3;2*1H;1H2
InChIKeyPULOITXDPREILF-UHFFFAOYSA-N
MW539.46 g/mol
LogP6.04
Rot. Bonds4

About bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride

bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride (PubChem CID 3051120) has the molecular formula C28H28Cl2N4O3 and a molecular weight of 539.46 g/mol. Its IUPAC name is bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride.

Molecular Properties

Compound Namebis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride
PubChem CID3051120
Molecular FormulaC28H28Cl2N4O3
Molecular Weight539.46 g/mol
Exact Mass538.15
IUPAC Namebis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride
SMILESCOc1ccc(-c2cn3ccccc3n2)cc1.COc1ccc(-c2cn3ccccc3n2)cc1.Cl.Cl.O
InChIInChI=1S/2C14H12N2O.2ClH.H2O/c2*1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13;;;/h2*2-10H,1H3;2*1H;1H2
InChIKeyPULOITXDPREILF-UHFFFAOYSA-N
XLogP6.04
TPSA84.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride?
The IUPAC name of bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride (CID 3051120) is bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride.
What is the SMILES notation for bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride?
The canonical SMILES for bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride is COc1ccc(-c2cn3ccccc3n2)cc1.COc1ccc(-c2cn3ccccc3n2)cc1.Cl.Cl.O.
What is the InChIKey of bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride?
The InChIKey is PULOITXDPREILF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O.2ClH.H2O/c2*1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13;;;/h2*2-10H,1H3;2*1H;1H2.
What are the key properties of bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride?
bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride has a molecular weight of 539.46 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine);hydrate;dihydrochloride is sourced from PubChem (CID 3051120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).