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

C28H32N4O2 — CID 10479214

IUPAC2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1
InChIInChI=1S/C28H32N4O2/c1-33-27-9-3-2-8-26(27)31-19-17-30(18-20-31)15-6-7-21-34-24-13-11-23(12-14-24)25-22-32-16-5-4-10-28(32)29-25/h2-5,8-14,16,22H,6-7,15,17-21H2,1H3
InChIKeyLUUKEDLOUSMCGZ-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.99
Rot. Bonds9

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

2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 10479214) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID10479214
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1
InChIInChI=1S/C28H32N4O2/c1-33-27-9-3-2-8-26(27)31-19-17-30(18-20-31)15-6-7-21-34-24-13-11-23(12-14-24)25-22-32-16-5-4-10-28(32)29-25/h2-5,8-14,16,22H,6-7,15,17-21H2,1H3
InChIKeyLUUKEDLOUSMCGZ-UHFFFAOYSA-N
XLogP4.99
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.99
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-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine (CID 10479214) is 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine is COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is LUUKEDLOUSMCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-33-27-9-3-2-8-26(27)31-19-17-30(18-20-31)15-6-7-21-34-24-13-11-23(12-14-24)25-22-32-16-5-4-10-28(32)29-25/h2-5,8-14,16,22H,6-7,15,17-21H2,1H3.
What are the key properties of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine?
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 456.59 g/mol, XLogP of 4.99, 9 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-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 10479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).