1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one

C19H20N2O3 — CID 14776783

IUPAC1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one
SMILESO=C1N(Cc2ccccc2)C2COC(O)C2N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2
InChIKeyVUERZPZSGONURR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.21
Rot. Bonds4

About 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one

1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one (PubChem CID 14776783) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one
PubChem CID14776783
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one
SMILESO=C1N(Cc2ccccc2)C2COC(O)C2N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2
InChIKeyVUERZPZSGONURR-UHFFFAOYSA-N
XLogP2.21
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(3aS,6aR)-1,3-dibenzyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 11771694
(1R,2R,6R,7R,8R)-5-benzyl-7-hydroxy-3,10,11-trioxa-5-azatricyclo[6.2.1.02,6]undecan-4-one
CID 170851347
(3aS)-1,3-dibenzyl-6,6a-dihydro-3aH-thieno[3,4-d]imidazole-2,4-dione
CID 149229260
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
(2S,6R)-3,5-dibenzyl-8-bromo-8lambda4-thia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one
CID 15508114
(3S,3aR,7aS)-1-benzyl-3-hydroxy-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-2-one
CID 57147958
3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
CID 139809899
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
2-[(3aS,6aR)-1,3-dibenzyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-d]imidazol-4-yl]-2-oxoacetaldehyde
CID 175071146

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one?
The IUPAC name of 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one (CID 14776783) is 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one.
What is the SMILES notation for 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one?
The canonical SMILES for 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one is O=C1N(Cc2ccccc2)C2COC(O)C2N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one?
The InChIKey is VUERZPZSGONURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2.
What are the key properties of 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one?
1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4-hydroxy-3a,4,6,6a-tetrahydrofuro[3,4-d]imidazol-2-one is sourced from PubChem (CID 14776783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).