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

C21H24Cl2N4 — CID 10716140

IUPAC1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccccc1CN1CCN(Cc2ccccc2Cl)C(C2=NCCN2)C1
InChIInChI=1S/C21H24Cl2N4/c22-18-7-3-1-5-16(18)13-26-11-12-27(14-17-6-2-4-8-19(17)23)20(15-26)21-24-9-10-25-21/h1-8,20H,9-15H2,(H,24,25)
InChIKeyZZIFVWVNEWUGHK-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.68
Rot. Bonds5

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

1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (PubChem CID 10716140) has the molecular formula C21H24Cl2N4 and a molecular weight of 403.36 g/mol. Its IUPAC name is 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
PubChem CID10716140
Molecular FormulaC21H24Cl2N4
Molecular Weight403.36 g/mol
Exact Mass402.14
IUPAC Name1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccccc1CN1CCN(Cc2ccccc2Cl)C(C2=NCCN2)C1
InChIInChI=1S/C21H24Cl2N4/c22-18-7-3-1-5-16(18)13-26-11-12-27(14-17-6-2-4-8-19(17)23)20(15-26)21-24-9-10-25-21/h1-8,20H,9-15H2,(H,24,25)
InChIKeyZZIFVWVNEWUGHK-UHFFFAOYSA-N
XLogP3.68
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (CID 10716140) is 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is Clc1ccccc1CN1CCN(Cc2ccccc2Cl)C(C2=NCCN2)C1.
What is the InChIKey of 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The InChIKey is ZZIFVWVNEWUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4/c22-18-7-3-1-5-16(18)13-26-11-12-27(14-17-6-2-4-8-19(17)23)20(15-26)21-24-9-10-25-21/h1-8,20H,9-15H2,(H,24,25).
What are the key properties of 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine has a molecular weight of 403.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 10716140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).