(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine

C26H25Cl3N4 — CID 59261938

IUPAC(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine
SMILESClc1ccc([C@@H]2CN(Cc3ccc(C4=NCCN4)cc3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H25Cl3N4/c27-21-7-5-19(6-8-21)25-17-32(13-14-33(25)24-10-9-22(28)15-23(24)29)16-18-1-3-20(4-2-18)26-30-11-12-31-26/h1-10,15,25H,11-14,16-17H2,(H,30,31)/t25-/m0/s1
InChIKeyMBEOPJLJYYUYEC-VWLOTQADSA-N
MW499.87 g/mol
LogP6.06
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine (PubChem CID 59261938) has the molecular formula C26H25Cl3N4 and a molecular weight of 499.87 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine
PubChem CID59261938
Molecular FormulaC26H25Cl3N4
Molecular Weight499.87 g/mol
Exact Mass498.11
IUPAC Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine
SMILESClc1ccc([C@@H]2CN(Cc3ccc(C4=NCCN4)cc3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H25Cl3N4/c27-21-7-5-19(6-8-21)25-17-32(13-14-33(25)24-10-9-22(28)15-23(24)29)16-18-1-3-20(4-2-18)26-30-11-12-31-26/h1-10,15,25H,11-14,16-17H2,(H,30,31)/t25-/m0/s1
InChIKeyMBEOPJLJYYUYEC-VWLOTQADSA-N
XLogP6.06
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.87
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine (CID 59261938) is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine is Clc1ccc([C@@H]2CN(Cc3ccc(C4=NCCN4)cc3)CCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine?
The InChIKey is MBEOPJLJYYUYEC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H25Cl3N4/c27-21-7-5-19(6-8-21)25-17-32(13-14-33(25)24-10-9-22(28)15-23(24)29)16-18-1-3-20(4-2-18)26-30-11-12-31-26/h1-10,15,25H,11-14,16-17H2,(H,30,31)/t25-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine?
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine has a molecular weight of 499.87 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 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-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 59261938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).