2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride

C19H23Cl3N4O — CID 154699415

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride
SMILESCOc1cc(C)c(Cl)cc1-c1cn2ccc(N3CCNCC3)cc2n1.Cl.Cl
InChIInChI=1S/C19H21ClN4O.2ClH/c1-13-9-18(25-2)15(11-16(13)20)17-12-24-6-3-14(10-19(24)22-17)23-7-4-21-5-8-23;;/h3,6,9-12,21H,4-5,7-8H2,1-2H3;2*1H
InChIKeyGERUJZWZAFLFAU-UHFFFAOYSA-N
MW429.78 g/mol
LogP4.22
Rot. Bonds3

About 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride

2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride (PubChem CID 154699415) has the molecular formula C19H23Cl3N4O and a molecular weight of 429.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride
PubChem CID154699415
Molecular FormulaC19H23Cl3N4O
Molecular Weight429.78 g/mol
Exact Mass428.09
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride
SMILESCOc1cc(C)c(Cl)cc1-c1cn2ccc(N3CCNCC3)cc2n1.Cl.Cl
InChIInChI=1S/C19H21ClN4O.2ClH/c1-13-9-18(25-2)15(11-16(13)20)17-12-24-6-3-14(10-19(24)22-17)23-7-4-21-5-8-23;;/h3,6,9-12,21H,4-5,7-8H2,1-2H3;2*1H
InChIKeyGERUJZWZAFLFAU-UHFFFAOYSA-N
XLogP4.22
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride (CID 154699415) is 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride is COc1cc(C)c(Cl)cc1-c1cn2ccc(N3CCNCC3)cc2n1.Cl.Cl.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride?
The InChIKey is GERUJZWZAFLFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O.2ClH/c1-13-9-18(25-2)15(11-16(13)20)17-12-24-6-3-14(10-19(24)22-17)23-7-4-21-5-8-23;;/h3,6,9-12,21H,4-5,7-8H2,1-2H3;2*1H.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride?
2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride has a molecular weight of 429.78 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride is sourced from PubChem (CID 154699415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).