2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine

C34H36N4O2 — CID 162666163

IUPAC2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C34H36N4O2/c1-39-29-15-11-27(12-16-29)31-8-2-3-9-33(31)37-23-21-36(22-24-37)19-6-7-25-40-30-17-13-28(14-18-30)32-26-38-20-5-4-10-34(38)35-32/h2-5,8-18,20,26H,6-7,19,21-25H2,1H3
InChIKeyVQZAUMPXCBBUBJ-UHFFFAOYSA-N
MW532.69 g/mol
LogP6.66
Rot. Bonds10

About 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine

2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 162666163) has the molecular formula C34H36N4O2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID162666163
Molecular FormulaC34H36N4O2
Molecular Weight532.69 g/mol
Exact Mass532.28
IUPAC Name2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C34H36N4O2/c1-39-29-15-11-27(12-16-29)31-8-2-3-9-33(31)37-23-21-36(22-24-37)19-6-7-25-40-30-17-13-28(14-18-30)32-26-38-20-5-4-10-34(38)35-32/h2-5,8-18,20,26H,6-7,19,21-25H2,1H3
InChIKeyVQZAUMPXCBBUBJ-UHFFFAOYSA-N
XLogP6.66
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine (CID 162666163) is 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine is COc1ccc(-c2ccccc2N2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is VQZAUMPXCBBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O2/c1-39-29-15-11-27(12-16-29)31-8-2-3-9-33(31)37-23-21-36(22-24-37)19-6-7-25-40-30-17-13-28(14-18-30)32-26-38-20-5-4-10-34(38)35-32/h2-5,8-18,20,26H,6-7,19,21-25H2,1H3.
What are the key properties of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 532.69 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 162666163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).