1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine

C34H36N4 — CID 12782482

IUPAC1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C2=C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H36N4/c1-5-13-29(14-6-1)25-35-21-22-36(26-30-15-7-2-8-16-30)33(35)34-37(27-31-17-9-3-10-18-31)23-24-38(34)28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyMAPNKMNWMOKQHO-UHFFFAOYSA-N
MW500.69 g/mol
LogP6.15
Rot. Bonds8

About 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine

1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine (PubChem CID 12782482) has the molecular formula C34H36N4 and a molecular weight of 500.69 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine
PubChem CID12782482
Molecular FormulaC34H36N4
Molecular Weight500.69 g/mol
Exact Mass500.29
IUPAC Name1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C2=C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H36N4/c1-5-13-29(14-6-1)25-35-21-22-36(26-30-15-7-2-8-16-30)33(35)34-37(27-31-17-9-3-10-18-31)23-24-38(34)28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyMAPNKMNWMOKQHO-UHFFFAOYSA-N
XLogP6.15
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine (CID 12782482) is 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine is c1ccc(CN2CCN(Cc3ccccc3)C2=C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine?
The InChIKey is MAPNKMNWMOKQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4/c1-5-13-29(14-6-1)25-35-21-22-36(26-30-15-7-2-8-16-30)33(35)34-37(27-31-17-9-3-10-18-31)23-24-38(34)28-32-19-11-4-12-20-32/h1-20H,21-28H2.
What are the key properties of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine?
1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine has a molecular weight of 500.69 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine is sourced from PubChem (CID 12782482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).