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

C34H38N4 — CID 13462185

IUPAC1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H38N4/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/h1-20,33-34H,21-28H2
InChIKeySWEGUCHNZLJHNU-UHFFFAOYSA-N
MW502.71 g/mol
LogP5.67
Rot. Bonds9

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

1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine (PubChem CID 13462185) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine.

Molecular Properties

Compound Name1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine
PubChem CID13462185
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine
SMILESc1ccc(CN2CCN(Cc3ccccc3)C2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H38N4/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/h1-20,33-34H,21-28H2
InChIKeySWEGUCHNZLJHNU-UHFFFAOYSA-N
XLogP5.67
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dibenzyl-2-phenylimidazolidine
CID 20726
1,3,4,7,8,10-hexabenzyloctahydro-1H-5,2,6-(epiminomethanetriylimino)imidazo[4,5-b]pyrazine
CID 389847
1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane
CID 428363
N,N,N',N'-tetrabenzylbutane-1,4-diamine
CID 336059
N,N,N',N'-tetrabenzylhexane-1,6-diamine
CID 15520742
1,3-Dibenzyl-2-methyl-imidazolidine
CID 76313553
1,3-Bis[(4-methylphenyl)methyl]-2-phenylimidazolidine
CID 44456725
N,N,N',N'-tetrabenzyldecane-1,10-diamine
CID 145953237
N,N,N',N'-tetrabenzyloctane-1,8-diamine
CID 145956940
N,N,N',N'-Tetrabenzylethylenediamine
CID 563356
N,N,N',N'-Tetrabenzylmethanediamine
CID 5038990
1,3-dibenzyl-2-[(E)-2-phenylethenyl]imidazolidine
CID 5291974

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine?
The IUPAC name of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine (CID 13462185) is 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine.
What is the SMILES notation for 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine?
The canonical SMILES for 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine is c1ccc(CN2CCN(Cc3ccccc3)C2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine?
The InChIKey is SWEGUCHNZLJHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/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/h1-20,33-34H,21-28H2.
What are the key properties of 1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine?
1,3-dibenzyl-2-(1,3-dibenzylimidazolidin-2-yl)imidazolidine has a molecular weight of 502.71 g/mol, XLogP of 5.67, 9 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-yl)imidazolidine is sourced from PubChem (CID 13462185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).