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

C33H40N4 — CID 22412025

IUPAC1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine
SMILESCc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1C(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H40N4/c1-24-30(35-32(34-24)28-16-18-29(19-17-28)33(3,4)5)25(2)36-20-22-37(23-21-36)31(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19,25,31H,20-23H2,1-5H3,(H,34,35)
InChIKeyLHDFFZJVJPUYQB-UHFFFAOYSA-N
MW492.71 g/mol
LogP7.15
Rot. Bonds6

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

1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine (PubChem CID 22412025) has the molecular formula C33H40N4 and a molecular weight of 492.71 g/mol. Its IUPAC name is 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine
PubChem CID22412025
Molecular FormulaC33H40N4
Molecular Weight492.71 g/mol
Exact Mass492.33
IUPAC Name1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine
SMILESCc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1C(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H40N4/c1-24-30(35-32(34-24)28-16-18-29(19-17-28)33(3,4)5)25(2)36-20-22-37(23-21-36)31(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19,25,31H,20-23H2,1-5H3,(H,34,35)
InChIKeyLHDFFZJVJPUYQB-UHFFFAOYSA-N
XLogP7.15
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(4-chlorophenyl)methyl]-4-[1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]piperazine;trihydrochloride
CID 22412086
1-[bis(4-tert-butylphenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106706
3,3-bis(4-tert-butylphenyl)-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-2-piperazin-1-ylpropan-1-ol;trihydrochloride
CID 67738572
1-[bis(2-tert-butylphenyl)methyl]-4-[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]piperazine
CID 67738855
1-benzyl-1-(4-chlorophenyl)-4-[1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]piperazin-1-ium;trihydrochloride
CID 173332407
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
CID 15067837
1-benzhydryl-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2-methylpropyl]piperazine;trihydrochloride
CID 22412372
1-[[2-(2,6-dideuterio-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]piperazine
CID 10049076
2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
CID 19106646
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
CID 57149183
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
CID 67738726
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine (CID 22412025) is 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine is Cc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1C(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine?
The InChIKey is LHDFFZJVJPUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4/c1-24-30(35-32(34-24)28-16-18-29(19-17-28)33(3,4)5)25(2)36-20-22-37(23-21-36)31(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19,25,31H,20-23H2,1-5H3,(H,34,35).
What are the key properties of 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine?
1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine has a molecular weight of 492.71 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine is sourced from PubChem (CID 22412025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).