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

C35H37N3O2 — CID 162662367

IUPAC2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2ccccc2C2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C35H37N3O2/c1-39-30-15-11-27(12-16-30)32-8-2-3-9-33(32)28-19-23-37(24-20-28)21-6-7-25-40-31-17-13-29(14-18-31)34-26-38-22-5-4-10-35(38)36-34/h2-5,8-18,22,26,28H,6-7,19-21,23-25H2,1H3
InChIKeyJMHXTWLKNVEBDQ-UHFFFAOYSA-N
MW531.70 g/mol
LogP7.72
Rot. Bonds10

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

2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 162662367) has the molecular formula C35H37N3O2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID162662367
Molecular FormulaC35H37N3O2
Molecular Weight531.70 g/mol
Exact Mass531.29
IUPAC Name2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2ccccc2C2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C35H37N3O2/c1-39-30-15-11-27(12-16-30)32-8-2-3-9-33(32)28-19-23-37(24-20-28)21-6-7-25-40-31-17-13-29(14-18-31)34-26-38-22-5-4-10-35(38)36-34/h2-5,8-18,22,26,28H,6-7,19-21,23-25H2,1H3
InChIKeyJMHXTWLKNVEBDQ-UHFFFAOYSA-N
XLogP7.72
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine (CID 162662367) is 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine is COc1ccc(-c2ccccc2C2CCN(CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is JMHXTWLKNVEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2/c1-39-30-15-11-27(12-16-30)32-8-2-3-9-33(32)28-19-23-37(24-20-28)21-6-7-25-40-31-17-13-29(14-18-31)34-26-38-22-5-4-10-35(38)36-34/h2-5,8-18,22,26,28H,6-7,19-21,23-25H2,1H3.
What are the key properties of 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 531.70 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 162662367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).