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

C33H40N4 — CID 67738748

IUPAC1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
SMILESCc1ccccc1C(c1ccccc1C)C(c1nc(-c2ccccc2)[nH]c1C)(C(C)C)N1CCNCC1
InChIInChI=1S/C33H40N4/c1-23(2)33(37-21-19-34-20-22-37,31-26(5)35-32(36-31)27-15-7-6-8-16-27)30(28-17-11-9-13-24(28)3)29-18-12-10-14-25(29)4/h6-18,23,30,34H,19-22H2,1-5H3,(H,35,36)
InChIKeyDMHOMXFMILYBSR-UHFFFAOYSA-N
MW492.71 g/mol
LogP6.59
Rot. Bonds7

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

1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine (PubChem CID 67738748) has the molecular formula C33H40N4 and a molecular weight of 492.71 g/mol. Its IUPAC name is 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
PubChem CID67738748
Molecular FormulaC33H40N4
Molecular Weight492.71 g/mol
Exact Mass492.33
IUPAC Name1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
SMILESCc1ccccc1C(c1ccccc1C)C(c1nc(-c2ccccc2)[nH]c1C)(C(C)C)N1CCNCC1
InChIInChI=1S/C33H40N4/c1-23(2)33(37-21-19-34-20-22-37,31-26(5)35-32(36-31)27-15-7-6-8-16-27)30(28-17-11-9-13-24(28)3)29-18-12-10-14-25(29)4/h6-18,23,30,34H,19-22H2,1-5H3,(H,35,36)
InChIKeyDMHOMXFMILYBSR-UHFFFAOYSA-N
XLogP6.59
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
The IUPAC name of 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine (CID 67738748) is 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
The canonical SMILES for 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine is Cc1ccccc1C(c1ccccc1C)C(c1nc(-c2ccccc2)[nH]c1C)(C(C)C)N1CCNCC1.
What is the InChIKey of 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
The InChIKey is DMHOMXFMILYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4/c1-23(2)33(37-21-19-34-20-22-37,31-26(5)35-32(36-31)27-15-7-6-8-16-27)30(28-17-11-9-13-24(28)3)29-18-12-10-14-25(29)4/h6-18,23,30,34H,19-22H2,1-5H3,(H,35,36).
What are the key properties of 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine?
1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine has a molecular weight of 492.71 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine is sourced from PubChem (CID 67738748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).