oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole

C19H20N2O4S — CID 11199592

IUPACoxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Sc1ccccc1-c1ccccc1)C1=NCCN1.O=C(O)C(=O)O
InChIInChI=1S/C17H18N2S.C2H2O4/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,13H,11-12H2,1H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyUYSICYRUMRANGT-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.99
Rot. Bonds4

About oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole

oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole (PubChem CID 11199592) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameoxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole
PubChem CID11199592
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Nameoxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Sc1ccccc1-c1ccccc1)C1=NCCN1.O=C(O)C(=O)O
InChIInChI=1S/C17H18N2S.C2H2O4/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,13H,11-12H2,1H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyUYSICYRUMRANGT-UHFFFAOYSA-N
XLogP2.99
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole (CID 11199592) is oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole is CC(Sc1ccccc1-c1ccccc1)C1=NCCN1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UYSICYRUMRANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S.C2H2O4/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14;3-1(4)2(5)6/h2-10,13H,11-12H2,1H3,(H,18,19);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 372.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11199592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).