1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine

C26H38N6 — CID 3006252

IUPAC1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine
SMILESCN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1
InChIInChI=1S/C26H38N6/c1-27-13-14-28(2)25(27)21-5-9-23(10-6-21)31-17-19-32(20-18-31)24-11-7-22(8-12-24)26-29(3)15-16-30(26)4/h5-12,25-26H,13-20H2,1-4H3
InChIKeyIDRQWHHJOQTROJ-UHFFFAOYSA-N
MW434.63 g/mol
LogP2.76
Rot. Bonds4

About 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine

1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine (PubChem CID 3006252) has the molecular formula C26H38N6 and a molecular weight of 434.63 g/mol. Its IUPAC name is 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine
PubChem CID3006252
Molecular FormulaC26H38N6
Molecular Weight434.63 g/mol
Exact Mass434.32
IUPAC Name1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine
SMILESCN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1
InChIInChI=1S/C26H38N6/c1-27-13-14-28(2)25(27)21-5-9-23(10-6-21)31-17-19-32(20-18-31)24-11-7-22(8-12-24)26-29(3)15-16-30(26)4/h5-12,25-26H,13-20H2,1-4H3
InChIKeyIDRQWHHJOQTROJ-UHFFFAOYSA-N
XLogP2.76
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
The IUPAC name of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine (CID 3006252) is 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine.
What is the SMILES notation for 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
The canonical SMILES for 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine is CN1CCN(C)C1c1ccc(N2CCN(c3ccc(C4N(C)CCN4C)cc3)CC2)cc1.
What is the InChIKey of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
The InChIKey is IDRQWHHJOQTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6/c1-27-13-14-28(2)25(27)21-5-9-23(10-6-21)31-17-19-32(20-18-31)24-11-7-22(8-12-24)26-29(3)15-16-30(26)4/h5-12,25-26H,13-20H2,1-4H3.
What are the key properties of 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine?
1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine has a molecular weight of 434.63 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(1,3-dimethylimidazolidin-2-yl)phenyl]piperazine is sourced from PubChem (CID 3006252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).