2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one

C20H21N3O2 — CID 25063272

IUPAC2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCO1
InChIInChI=1S/C20H21N3O2/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1-6,8-11,17H,7,12-14H2,(H2,21,22)
InChIKeyLRJXDLWJWVZHJD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one

2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one (PubChem CID 25063272) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one
PubChem CID25063272
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCO1
InChIInChI=1S/C20H21N3O2/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1-6,8-11,17H,7,12-14H2,(H2,21,22)
InChIKeyLRJXDLWJWVZHJD-UHFFFAOYSA-N
XLogP2.27
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 70134938
3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 43000639
2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
CID 89248187
2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 70304549
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine
CID 141178341
(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 6558529
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
[(3S,5R)-5-benzoyl-1-(oxolan-2-ylmethyl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68880506
(3aS,6aR)-2-benzyl-5-[[(2R)-oxolan-2-yl]methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 126422720
5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one (CID 25063272) is 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCO1.
What is the InChIKey of 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one?
The InChIKey is LRJXDLWJWVZHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-19-22-20(15-8-3-1-4-9-15,16-10-5-2-6-11-16)18(24)23(19)14-17-12-7-13-25-17/h1-6,8-11,17H,7,12-14H2,(H2,21,22).
What are the key properties of 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one?
2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxolan-2-ylmethyl)-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 25063272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).