1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane

C38H48N4O2 — CID 90878552

IUPAC1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane
SMILESCC.CC.O=C1NC(Cc2ccccc2)CN1Cc1ccccc1.O=C1NCC(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/2C17H18N2O.2C2H6/c20-17-18-12-16(11-14-7-3-1-4-8-14)19(17)13-15-9-5-2-6-10-15;20-17-18-16(11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15;2*1-2/h2*1-10,16H,11-13H2,(H,18,20);2*1-2H3
InChIKeyKWYGYDURZCOOOM-UHFFFAOYSA-N
MW592.83 g/mol
LogP7.70
Rot. Bonds8

About 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane

1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane (PubChem CID 90878552) has the molecular formula C38H48N4O2 and a molecular weight of 592.83 g/mol. Its IUPAC name is 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane.

Molecular Properties

Compound Name1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane
PubChem CID90878552
Molecular FormulaC38H48N4O2
Molecular Weight592.83 g/mol
Exact Mass592.38
IUPAC Name1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane
SMILESCC.CC.O=C1NC(Cc2ccccc2)CN1Cc1ccccc1.O=C1NCC(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/2C17H18N2O.2C2H6/c20-17-18-12-16(11-14-7-3-1-4-8-14)19(17)13-15-9-5-2-6-10-15;20-17-18-16(11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15;2*1-2/h2*1-10,16H,11-13H2,(H,18,20);2*1-2H3
InChIKeyKWYGYDURZCOOOM-UHFFFAOYSA-N
XLogP7.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.83
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane?
The IUPAC name of 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane (CID 90878552) is 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane.
What is the SMILES notation for 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane?
The canonical SMILES for 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane is CC.CC.O=C1NC(Cc2ccccc2)CN1Cc1ccccc1.O=C1NCC(Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane?
The InChIKey is KWYGYDURZCOOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N2O.2C2H6/c20-17-18-12-16(11-14-7-3-1-4-8-14)19(17)13-15-9-5-2-6-10-15;20-17-18-16(11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15;2*1-2/h2*1-10,16H,11-13H2,(H,18,20);2*1-2H3.
What are the key properties of 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane?
1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane has a molecular weight of 592.83 g/mol, XLogP of 7.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzylimidazolidin-2-one;1,5-dibenzylimidazolidin-2-one;ethane is sourced from PubChem (CID 90878552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).