N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine

C50H56N6 — CID 5249063

IUPACN,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C2N(CCN(Cc2ccccc2)C2N(Cc3ccccc3)CCN2Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C50H56N6/c1-7-19-43(20-8-1)37-51-31-32-52(38-44-21-9-2-10-22-44)49(51)55(41-47-27-15-5-16-28-47)35-36-56(42-48-29-17-6-18-30-48)50-53(39-45-23-11-3-12-24-45)33-34-54(50)40-46-25-13-4-14-26-46/h1-30,49-50H,31-42H2
InChIKeyCPUGLVGDXHFCIL-UHFFFAOYSA-N
MW741.04 g/mol
LogP8.59
Rot. Bonds17

About N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine

N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine (PubChem CID 5249063) has the molecular formula C50H56N6 and a molecular weight of 741.04 g/mol. Its IUPAC name is N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine
PubChem CID5249063
Molecular FormulaC50H56N6
Molecular Weight741.04 g/mol
Exact Mass740.46
IUPAC NameN,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C2N(CCN(Cc2ccccc2)C2N(Cc3ccccc3)CCN2Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C50H56N6/c1-7-19-43(20-8-1)37-51-31-32-52(38-44-21-9-2-10-22-44)49(51)55(41-47-27-15-5-16-28-47)35-36-56(42-48-29-17-6-18-30-48)50-53(39-45-23-11-3-12-24-45)33-34-54(50)40-46-25-13-4-14-26-46/h1-30,49-50H,31-42H2
InChIKeyCPUGLVGDXHFCIL-UHFFFAOYSA-N
XLogP8.59
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.04
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine (CID 5249063) is N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine is c1ccc(CN2CCN(Cc3ccccc3)C2N(CCN(Cc2ccccc2)C2N(Cc3ccccc3)CCN2Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine?
The InChIKey is CPUGLVGDXHFCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56N6/c1-7-19-43(20-8-1)37-51-31-32-52(38-44-21-9-2-10-22-44)49(51)55(41-47-27-15-5-16-28-47)35-36-56(42-48-29-17-6-18-30-48)50-53(39-45-23-11-3-12-24-45)33-34-54(50)40-46-25-13-4-14-26-46/h1-30,49-50H,31-42H2.
What are the key properties of N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine?
N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine has a molecular weight of 741.04 g/mol, XLogP of 8.59, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 5249063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).