1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine

C39H52N4 — CID 67738879

IUPAC1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
SMILESCc1[nH]c(-c2ccccc2)nc1C(C(C)C)(C(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C)N1CCNCC1
InChIInChI=1S/C39H52N4/c1-27(2)39(43-25-23-40-24-26-43,35-28(3)41-36(42-35)29-17-11-10-12-18-29)34(30-19-13-15-21-32(30)37(4,5)6)31-20-14-16-22-33(31)38(7,8)9/h10-22,27,34,40H,23-26H2,1-9H3,(H,41,42)
InChIKeyGASJZPFWDFBZIB-UHFFFAOYSA-N
MW576.87 g/mol
LogP8.57
Rot. Bonds7

About 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine

1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine (PubChem CID 67738879) has the molecular formula C39H52N4 and a molecular weight of 576.87 g/mol. Its IUPAC name is 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
PubChem CID67738879
Molecular FormulaC39H52N4
Molecular Weight576.87 g/mol
Exact Mass576.42
IUPAC Name1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
SMILESCc1[nH]c(-c2ccccc2)nc1C(C(C)C)(C(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C)N1CCNCC1
InChIInChI=1S/C39H52N4/c1-27(2)39(43-25-23-40-24-26-43,35-28(3)41-36(42-35)29-17-11-10-12-18-29)34(30-19-13-15-21-32(30)37(4,5)6)31-20-14-16-22-33(31)38(7,8)9/h10-22,27,34,40H,23-26H2,1-9H3,(H,41,42)
InChIKeyGASJZPFWDFBZIB-UHFFFAOYSA-N
XLogP8.57
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.87
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-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-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
The IUPAC name of 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine (CID 67738879) is 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
The canonical SMILES for 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine is Cc1[nH]c(-c2ccccc2)nc1C(C(C)C)(C(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C)N1CCNCC1.
What is the InChIKey of 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
The InChIKey is GASJZPFWDFBZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52N4/c1-27(2)39(43-25-23-40-24-26-43,35-28(3)41-36(42-35)29-17-11-10-12-18-29)34(30-19-13-15-21-32(30)37(4,5)6)31-20-14-16-22-33(31)38(7,8)9/h10-22,27,34,40H,23-26H2,1-9H3,(H,41,42).
What are the key properties of 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine has a molecular weight of 576.87 g/mol, XLogP of 8.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(2-tert-butylphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine is sourced from PubChem (CID 67738879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).