1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine

C21H28N4 — CID 6482346

IUPAC1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine
SMILESCc1ccc(N2CCN(CN3CCN(c4ccc(C)cc4)C3)C2)cc1
InChIInChI=1S/C21H28N4/c1-18-3-7-20(8-4-18)24-13-11-22(16-24)15-23-12-14-25(17-23)21-9-5-19(2)6-10-21/h3-10H,11-17H2,1-2H3
InChIKeyRGAYGGFZSMQDEY-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine

1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine (PubChem CID 6482346) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine
PubChem CID6482346
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine
SMILESCc1ccc(N2CCN(CN3CCN(c4ccc(C)cc4)C3)C2)cc1
InChIInChI=1S/C21H28N4/c1-18-3-7-20(8-4-18)24-13-11-22(16-24)15-23-12-14-25(17-23)21-9-5-19(2)6-10-21/h3-10H,11-17H2,1-2H3
InChIKeyRGAYGGFZSMQDEY-UHFFFAOYSA-N
XLogP3.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine?
The IUPAC name of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine (CID 6482346) is 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine?
The canonical SMILES for 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine is Cc1ccc(N2CCN(CN3CCN(c4ccc(C)cc4)C3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine?
The InChIKey is RGAYGGFZSMQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-18-3-7-20(8-4-18)24-13-11-22(16-24)15-23-12-14-25(17-23)21-9-5-19(2)6-10-21/h3-10H,11-17H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine?
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine has a molecular weight of 336.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)imidazolidin-1-yl]methyl]imidazolidine is sourced from PubChem (CID 6482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).