1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine

C27H26Cl2N4 — CID 141180579

IUPAC1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3ccc(Cc4ncc(-c5ccc(Cl)cc5Cl)[nH]4)cc3)cc2)CC1
InChIInChI=1S/C27H26Cl2N4/c1-32-12-14-33(15-13-32)23-9-6-21(7-10-23)20-4-2-19(3-5-20)16-27-30-18-26(31-27)24-11-8-22(28)17-25(24)29/h2-11,17-18H,12-16H2,1H3,(H,30,31)
InChIKeyOHZPHUDZRADONW-UHFFFAOYSA-N
MW477.44 g/mol
LogP6.39
Rot. Bonds5

About 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine

1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine (PubChem CID 141180579) has the molecular formula C27H26Cl2N4 and a molecular weight of 477.44 g/mol. Its IUPAC name is 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine
PubChem CID141180579
Molecular FormulaC27H26Cl2N4
Molecular Weight477.44 g/mol
Exact Mass476.15
IUPAC Name1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3ccc(Cc4ncc(-c5ccc(Cl)cc5Cl)[nH]4)cc3)cc2)CC1
InChIInChI=1S/C27H26Cl2N4/c1-32-12-14-33(15-13-32)23-9-6-21(7-10-23)20-4-2-19(3-5-20)16-27-30-18-26(31-27)24-11-8-22(28)17-25(24)29/h2-11,17-18H,12-16H2,1H3,(H,30,31)
InChIKeyOHZPHUDZRADONW-UHFFFAOYSA-N
XLogP6.39
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine (CID 141180579) is 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine is CN1CCN(c2ccc(-c3ccc(Cc4ncc(-c5ccc(Cl)cc5Cl)[nH]4)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine?
The InChIKey is OHZPHUDZRADONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4/c1-32-12-14-33(15-13-32)23-9-6-21(7-10-23)20-4-2-19(3-5-20)16-27-30-18-26(31-27)24-11-8-22(28)17-25(24)29/h2-11,17-18H,12-16H2,1H3,(H,30,31).
What are the key properties of 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine?
1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine has a molecular weight of 477.44 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 141180579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).