1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride

C29H34Cl4N4O — CID 67738595

IUPAC1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
SMILESCc1[nH]c(-c2ccccc2Cl)nc1C(O)C(C(c1ccccc1)c1ccccc1)N1CCNCC1.Cl.Cl.Cl
InChIInChI=1S/C29H31ClN4O.3ClH/c1-20-26(33-29(32-20)23-14-8-9-15-24(23)30)28(35)27(34-18-16-31-17-19-34)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22;;;/h2-15,25,27-28,31,35H,16-19H2,1H3,(H,32,33);3*1H
InChIKeyHSYDEDYMCGFDGC-UHFFFAOYSA-N
MW596.43 g/mol
LogP6.44
Rot. Bonds7

About 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride

1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride (PubChem CID 67738595) has the molecular formula C29H34Cl4N4O and a molecular weight of 596.43 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
PubChem CID67738595
Molecular FormulaC29H34Cl4N4O
Molecular Weight596.43 g/mol
Exact Mass594.15
IUPAC Name1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
SMILESCc1[nH]c(-c2ccccc2Cl)nc1C(O)C(C(c1ccccc1)c1ccccc1)N1CCNCC1.Cl.Cl.Cl
InChIInChI=1S/C29H31ClN4O.3ClH/c1-20-26(33-29(32-20)23-14-8-9-15-24(23)30)28(35)27(34-18-16-31-17-19-34)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22;;;/h2-15,25,27-28,31,35H,16-19H2,1H3,(H,32,33);3*1H
InChIKeyHSYDEDYMCGFDGC-UHFFFAOYSA-N
XLogP6.44
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.43
LogP ≤ 56.44
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-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol
CID 67738731
1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
CID 67738602
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
CID 67738726
1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
CID 67738754
1-(2-cyclohexyl-5-ethyl-1H-imidazol-4-yl)-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
CID 67738795
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
phenyl(piperazin-1-yl)methanol
CID 23037926
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[bis(4-chlorophenyl)methyl]-4-[1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]piperazine;trihydrochloride
CID 22412086
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[1,1-bis(2-chlorophenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propan-2-yl]piperazine;trihydrochloride
CID 67738605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride (CID 67738595) is 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride is Cc1[nH]c(-c2ccccc2Cl)nc1C(O)C(C(c1ccccc1)c1ccccc1)N1CCNCC1.Cl.Cl.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride?
The InChIKey is HSYDEDYMCGFDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O.3ClH/c1-20-26(33-29(32-20)23-14-8-9-15-24(23)30)28(35)27(34-18-16-31-17-19-34)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22;;;/h2-15,25,27-28,31,35H,16-19H2,1H3,(H,32,33);3*1H.
What are the key properties of 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride?
1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride has a molecular weight of 596.43 g/mol, XLogP of 6.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride is sourced from PubChem (CID 67738595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).