(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine

C24H27Cl3N4 — CID 123349129

IUPAC(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine
SMILESCCc1nccn1C(C)CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H27Cl3N4/c1-3-24-28-10-11-30(24)17(2)15-29-12-13-31(22-9-8-20(26)14-21(22)27)23(16-29)18-4-6-19(25)7-5-18/h4-11,14,17,23H,3,12-13,15-16H2,1-2H3/t17?,23-/m0/s1
InChIKeyLXJBHNALYFGHKY-VXLWULRPSA-N
MW477.87 g/mol
LogP6.53
Rot. Bonds6

About (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine (PubChem CID 123349129) has the molecular formula C24H27Cl3N4 and a molecular weight of 477.87 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine
PubChem CID123349129
Molecular FormulaC24H27Cl3N4
Molecular Weight477.87 g/mol
Exact Mass476.13
IUPAC Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine
SMILESCCc1nccn1C(C)CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H27Cl3N4/c1-3-24-28-10-11-30(24)17(2)15-29-12-13-31(22-9-8-20(26)14-21(22)27)23(16-29)18-4-6-19(25)7-5-18/h4-11,14,17,23H,3,12-13,15-16H2,1-2H3/t17?,23-/m0/s1
InChIKeyLXJBHNALYFGHKY-VXLWULRPSA-N
XLogP6.53
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.87
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
CID 11669776
(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 58732978
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazine
CID 123538536
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
CID 11705679
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 123768127
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
CID 143237546
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
4-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 59261800
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
CID 143237516
(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 123871612

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine (CID 123349129) is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine is CCc1nccn1C(C)CN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine?
The InChIKey is LXJBHNALYFGHKY-VXLWULRPSA-N. The full InChI is InChI=1S/C24H27Cl3N4/c1-3-24-28-10-11-30(24)17(2)15-29-12-13-31(22-9-8-20(26)14-21(22)27)23(16-29)18-4-6-19(25)7-5-18/h4-11,14,17,23H,3,12-13,15-16H2,1-2H3/t17?,23-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine?
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine has a molecular weight of 477.87 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine is sourced from PubChem (CID 123349129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).