1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione

C19H18N4O4S — CID 86272936

IUPAC1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione
SMILESNC1=N[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H18N4O4S/c20-19-21-16(13-4-2-1-3-5-13)12-22(19)28(26,27)15-8-6-14(7-9-15)23-17(24)10-11-18(23)25/h1-9,16H,10-12H2,(H2,20,21)/t16-/m1/s1
InChIKeyRAQDCKZZWDYZSV-MRXNPFEDSA-N
MW398.44 g/mol
LogP1.40
Rot. Bonds4

About 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione

1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 86272936) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID86272936
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione
SMILESNC1=N[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H18N4O4S/c20-19-21-16(13-4-2-1-3-5-13)12-22(19)28(26,27)15-8-6-14(7-9-15)23-17(24)10-11-18(23)25/h1-9,16H,10-12H2,(H2,20,21)/t16-/m1/s1
InChIKeyRAQDCKZZWDYZSV-MRXNPFEDSA-N
XLogP1.40
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione (CID 86272936) is 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione is NC1=N[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is RAQDCKZZWDYZSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-19-21-16(13-4-2-1-3-5-13)12-22(19)28(26,27)15-8-6-14(7-9-15)23-17(24)10-11-18(23)25/h1-9,16H,10-12H2,(H2,20,21)/t16-/m1/s1.
What are the key properties of 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione?
1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 398.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4S)-2-amino-4-phenyl-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86272936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).