1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride

C30H37Cl3N4O — CID 67738726

IUPAC1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
SMILESCc1[nH]c(-c2ccccc2)nc1C(O)C(CC(c1ccccc1)c1ccccc1)N1CCNCC1.Cl.Cl.Cl
InChIInChI=1S/C30H34N4O.3ClH/c1-22-28(33-30(32-22)25-15-9-4-10-16-25)29(35)27(34-19-17-31-18-20-34)21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24;;;/h2-16,26-27,29,31,35H,17-21H2,1H3,(H,32,33);3*1H
InChIKeyJPPICFJWKLRANW-UHFFFAOYSA-N
MW576.01 g/mol
LogP6.18
Rot. Bonds8

About 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride

1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride (PubChem CID 67738726) has the molecular formula C30H37Cl3N4O and a molecular weight of 576.01 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride.

Molecular Properties

Compound Name1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
PubChem CID67738726
Molecular FormulaC30H37Cl3N4O
Molecular Weight576.01 g/mol
Exact Mass574.20
IUPAC Name1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
SMILESCc1[nH]c(-c2ccccc2)nc1C(O)C(CC(c1ccccc1)c1ccccc1)N1CCNCC1.Cl.Cl.Cl
InChIInChI=1S/C30H34N4O.3ClH/c1-22-28(33-30(32-22)25-15-9-4-10-16-25)29(35)27(34-19-17-31-18-20-34)21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24;;;/h2-16,26-27,29,31,35H,17-21H2,1H3,(H,32,33);3*1H
InChIKeyJPPICFJWKLRANW-UHFFFAOYSA-N
XLogP6.18
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.01
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
CID 67738595
1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
CID 67738754
1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
CID 67738602
1-[bis(4-chlorophenyl)methyl]-4-[1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]piperazine;trihydrochloride
CID 22412086
1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol
CID 67738731
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
phenyl(piperazin-1-yl)methanol
CID 23037926
1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine
CID 22412025
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 14099726
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride?
The IUPAC name of 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride (CID 67738726) is 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride.
What is the SMILES notation for 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride?
The canonical SMILES for 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride is Cc1[nH]c(-c2ccccc2)nc1C(O)C(CC(c1ccccc1)c1ccccc1)N1CCNCC1.Cl.Cl.Cl.
What is the InChIKey of 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride?
The InChIKey is JPPICFJWKLRANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O.3ClH/c1-22-28(33-30(32-22)25-15-9-4-10-16-25)29(35)27(34-19-17-31-18-20-34)21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24;;;/h2-16,26-27,29,31,35H,17-21H2,1H3,(H,32,33);3*1H.
What are the key properties of 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride?
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride has a molecular weight of 576.01 g/mol, XLogP of 6.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride is sourced from PubChem (CID 67738726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).