2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine

C28H36N6 — CID 11532637

IUPAC2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCCn1cnc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C
InChIInChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3
InChIKeyXOVVOPXYEWLASI-UHFFFAOYSA-N
MW456.64 g/mol
LogP5.15
Rot. Bonds5

About 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine

2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 11532637) has the molecular formula C28H36N6 and a molecular weight of 456.64 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID11532637
Molecular FormulaC28H36N6
Molecular Weight456.64 g/mol
Exact Mass456.30
IUPAC Name2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCCn1cnc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C
InChIInChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3
InChIKeyXOVVOPXYEWLASI-UHFFFAOYSA-N
XLogP5.15
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.64
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine (CID 11532637) is 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine is CCn1cnc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is XOVVOPXYEWLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6/c1-6-32-20-29-24(21(32)2)18-31-14-16-33(17-15-31)26-8-7-13-34-19-25(30-27(26)34)22-9-11-23(12-10-22)28(3,4)5/h7-13,19-20H,6,14-18H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 456.64 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-[4-[(1-ethyl-5-methylimidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 11532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).