1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine

C32H38N4 — CID 67738715

IUPAC1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine
SMILESCCCc1[nH]c(-c2ccc(C)cc2)nc1C(C)(C(c1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C32H38N4/c1-4-11-28-30(35-31(34-28)27-18-16-24(2)17-19-27)32(3,36-22-20-33-21-23-36)29(25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-19,29,33H,4,11,20-23H2,1-3H3,(H,34,35)
InChIKeyWEIHXYHHEQFXJE-UHFFFAOYSA-N
MW478.68 g/mol
LogP6.29
Rot. Bonds8

About 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine

1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine (PubChem CID 67738715) has the molecular formula C32H38N4 and a molecular weight of 478.68 g/mol. Its IUPAC name is 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine
PubChem CID67738715
Molecular FormulaC32H38N4
Molecular Weight478.68 g/mol
Exact Mass478.31
IUPAC Name1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine
SMILESCCCc1[nH]c(-c2ccc(C)cc2)nc1C(C)(C(c1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C32H38N4/c1-4-11-28-30(35-31(34-28)27-18-16-24(2)17-19-27)32(3,36-22-20-33-21-23-36)29(25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-19,29,33H,4,11,20-23H2,1-3H3,(H,34,35)
InChIKeyWEIHXYHHEQFXJE-UHFFFAOYSA-N
XLogP6.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine?
The IUPAC name of 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine (CID 67738715) is 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine.
What is the SMILES notation for 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine?
The canonical SMILES for 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine is CCCc1[nH]c(-c2ccc(C)cc2)nc1C(C)(C(c1ccccc1)c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine?
The InChIKey is WEIHXYHHEQFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4/c1-4-11-28-30(35-31(34-28)27-18-16-24(2)17-19-27)32(3,36-22-20-33-21-23-36)29(25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-19,29,33H,4,11,20-23H2,1-3H3,(H,34,35).
What are the key properties of 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine?
1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine has a molecular weight of 478.68 g/mol, XLogP of 6.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1,1-diphenylpropan-2-yl]piperazine is sourced from PubChem (CID 67738715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).