oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole

C17H24N2O4 — CID 174974261

IUPACoxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole
SMILESCC(C)N1C=CN(C(C)C)C1c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H22N2.C2H2O4/c1-12(2)16-10-11-17(13(3)4)15(16)14-8-6-5-7-9-14;3-1(4)2(5)6/h5-13,15H,1-4H3;(H,3,4)(H,5,6)
InChIKeyDBNOHJFXZKZNHI-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.75
Rot. Bonds3

About oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole

oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole (PubChem CID 174974261) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Nameoxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole
PubChem CID174974261
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameoxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole
SMILESCC(C)N1C=CN(C(C)C)C1c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H22N2.C2H2O4/c1-12(2)16-10-11-17(13(3)4)15(16)14-8-6-5-7-9-14;3-1(4)2(5)6/h5-13,15H,1-4H3;(H,3,4)(H,5,6)
InChIKeyDBNOHJFXZKZNHI-UHFFFAOYSA-N
XLogP2.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
CID 69394417
1-methyl-2-phenyl-3-propan-2-ylimidazolidine
CID 10398006
2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid
CID 70602858
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 140531930
phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
CID 67914032
3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116564403
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
(4S,5S)-2-methyl-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2λ5-diazaphospholidine 2-oxide
CID 135033737
2-phenyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 886752

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole (CID 174974261) is oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole is CC(C)N1C=CN(C(C)C)C1c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is DBNOHJFXZKZNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.C2H2O4/c1-12(2)16-10-11-17(13(3)4)15(16)14-8-6-5-7-9-14;3-1(4)2(5)6/h5-13,15H,1-4H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole?
oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 320.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-phenyl-1,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 174974261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).