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

C28H36N6 — CID 15602806

IUPAC2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCCc1nc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1
InChIInChI=1S/C28H36N6/c1-6-26-29-20(2)23(30-26)18-32-14-16-33(17-15-32)25-8-7-13-34-19-24(31-27(25)34)21-9-11-22(12-10-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,29,30)
InChIKeyQMCIWSPCULJWEO-UHFFFAOYSA-N
MW456.64 g/mol
LogP5.21
Rot. Bonds5

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

2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 15602806) has the molecular formula C28H36N6 and a molecular weight of 456.64 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID15602806
Molecular FormulaC28H36N6
Molecular Weight456.64 g/mol
Exact Mass456.30
IUPAC Name2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCCc1nc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1
InChIInChI=1S/C28H36N6/c1-6-26-29-20(2)23(30-26)18-32-14-16-33(17-15-32)25-8-7-13-34-19-24(31-27(25)34)21-9-11-22(12-10-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,29,30)
InChIKeyQMCIWSPCULJWEO-UHFFFAOYSA-N
XLogP5.21
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.64
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine (CID 15602806) is 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine is CCc1nc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is QMCIWSPCULJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6/c1-6-26-29-20(2)23(30-26)18-32-14-16-33(17-15-32)25-8-7-13-34-19-24(31-27(25)34)21-9-11-22(12-10-21)28(3,4)5/h7-13,19H,6,14-18H2,1-5H3,(H,29,30).
What are the key properties of 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 456.64 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 15602806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).