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

C21H22Cl4N4 — CID 10624256

IUPAC1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)C(C3=NCCN3)C2)c(Cl)c1
InChIInChI=1S/C21H22Cl4N4/c22-16-3-1-14(18(24)9-16)11-28-7-8-29(20(13-28)21-26-5-6-27-21)12-15-2-4-17(23)10-19(15)25/h1-4,9-10,20H,5-8,11-13H2,(H,26,27)
InChIKeyMFXRYGWPXJCBJU-UHFFFAOYSA-N
MW472.25 g/mol
LogP4.99
Rot. Bonds5

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

1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (PubChem CID 10624256) has the molecular formula C21H22Cl4N4 and a molecular weight of 472.25 g/mol. Its IUPAC name is 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
PubChem CID10624256
Molecular FormulaC21H22Cl4N4
Molecular Weight472.25 g/mol
Exact Mass470.06
IUPAC Name1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)C(C3=NCCN3)C2)c(Cl)c1
InChIInChI=1S/C21H22Cl4N4/c22-16-3-1-14(18(24)9-16)11-28-7-8-29(20(13-28)21-26-5-6-27-21)12-15-2-4-17(23)10-19(15)25/h1-4,9-10,20H,5-8,11-13H2,(H,26,27)
InChIKeyMFXRYGWPXJCBJU-UHFFFAOYSA-N
XLogP4.99
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine (CID 10624256) is 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)C(C3=NCCN3)C2)c(Cl)c1.
What is the InChIKey of 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
The InChIKey is MFXRYGWPXJCBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl4N4/c22-16-3-1-14(18(24)9-16)11-28-7-8-29(20(13-28)21-26-5-6-27-21)12-15-2-4-17(23)10-19(15)25/h1-4,9-10,20H,5-8,11-13H2,(H,26,27).
What are the key properties of 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine?
1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine has a molecular weight of 472.25 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 10624256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).