1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine

C36H46N4 — CID 67738855

IUPAC1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine
SMILESCc1ccc(-c2nc(N3CCN(C(c4ccccc4C(C)(C)C)c4ccccc4C(C)(C)C)CC3)c(C)[nH]2)cc1
InChIInChI=1S/C36H46N4/c1-25-17-19-27(20-18-25)33-37-26(2)34(38-33)40-23-21-39(22-24-40)32(28-13-9-11-15-30(28)35(3,4)5)29-14-10-12-16-31(29)36(6,7)8/h9-20,32H,21-24H2,1-8H3,(H,37,38)
InChIKeyLSQWCVZXTUFIDL-UHFFFAOYSA-N
MW534.79 g/mol
LogP8.20
Rot. Bonds5

About 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine

1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine (PubChem CID 67738855) has the molecular formula C36H46N4 and a molecular weight of 534.79 g/mol. Its IUPAC name is 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine
PubChem CID67738855
Molecular FormulaC36H46N4
Molecular Weight534.79 g/mol
Exact Mass534.37
IUPAC Name1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine
SMILESCc1ccc(-c2nc(N3CCN(C(c4ccccc4C(C)(C)C)c4ccccc4C(C)(C)C)CC3)c(C)[nH]2)cc1
InChIInChI=1S/C36H46N4/c1-25-17-19-27(20-18-25)33-37-26(2)34(38-33)40-23-21-39(22-24-40)32(28-13-9-11-15-30(28)35(3,4)5)29-14-10-12-16-31(29)36(6,7)8/h9-20,32H,21-24H2,1-8H3,(H,37,38)
InChIKeyLSQWCVZXTUFIDL-UHFFFAOYSA-N
XLogP8.20
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.79
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine?
The IUPAC name of 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine (CID 67738855) is 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine.
What is the SMILES notation for 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine?
The canonical SMILES for 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine is Cc1ccc(-c2nc(N3CCN(C(c4ccccc4C(C)(C)C)c4ccccc4C(C)(C)C)CC3)c(C)[nH]2)cc1.
What is the InChIKey of 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine?
The InChIKey is LSQWCVZXTUFIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N4/c1-25-17-19-27(20-18-25)33-37-26(2)34(38-33)40-23-21-39(22-24-40)32(28-13-9-11-15-30(28)35(3,4)5)29-14-10-12-16-31(29)36(6,7)8/h9-20,32H,21-24H2,1-8H3,(H,37,38).
What are the key properties of 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine?
1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine has a molecular weight of 534.79 g/mol, XLogP of 8.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine is sourced from PubChem (CID 67738855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).