1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one

C20H20N2O2 — CID 11324666

IUPAC1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
SMILESO=c1n(Cc2ccccc2)cc(/C=C/CO)n1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-13-7-12-19-16-21(14-17-8-3-1-4-9-17)20(24)22(19)15-18-10-5-2-6-11-18/h1-12,16,23H,13-15H2/b12-7+
InChIKeyBEIGMUASLYXTCT-KPKJPENVSA-N
MW320.39 g/mol
LogP2.75
Rot. Bonds6

About 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one

1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one (PubChem CID 11324666) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
PubChem CID11324666
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
SMILESO=c1n(Cc2ccccc2)cc(/C=C/CO)n1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-13-7-12-19-16-21(14-17-8-3-1-4-9-17)20(24)22(19)15-18-10-5-2-6-11-18/h1-12,16,23H,13-15H2/b12-7+
InChIKeyBEIGMUASLYXTCT-KPKJPENVSA-N
XLogP2.75
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dibenzyl-5-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]pyrimidine-2,4-dione
CID 10188830
2-[4-[(5-but-1-enyl-3-butyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 54104236
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide
CID 134870954
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
3-(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)propanal
CID 10540108
1-benzyl-5-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enyl]pyrimidine-2,4-dione
CID 10758439
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
(Z)-4-[1-benzyl-3-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 58914584
2-[4-[[3-butan-2-yl-5-[(E)-but-1-enyl]-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19740368
2-[4-[(5-but-1-enyl-2-oxo-3-pentanoylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 54278999

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one?
The IUPAC name of 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one (CID 11324666) is 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one.
What is the SMILES notation for 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one?
The canonical SMILES for 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one is O=c1n(Cc2ccccc2)cc(/C=C/CO)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one?
The InChIKey is BEIGMUASLYXTCT-KPKJPENVSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-13-7-12-19-16-21(14-17-8-3-1-4-9-17)20(24)22(19)15-18-10-5-2-6-11-18/h1-12,16,23H,13-15H2/b12-7+.
What are the key properties of 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one?
1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one is sourced from PubChem (CID 11324666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).