(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione

C21H16N4O3 — CID 98463384

IUPAC(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C21H16N4O3/c26-19-11-17(22-13-8-9-15-16(10-13)24-21(28)23-15)20(27)25(19)18-7-3-5-12-4-1-2-6-14(12)18/h1-10,17,22H,11H2,(H2,23,24,28)/t17-/m1/s1
InChIKeyYFOMEJJODUIDLU-QGZVFWFLSA-N
MW372.38 g/mol
LogP2.75
Rot. Bonds3

About (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione

(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione (PubChem CID 98463384) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
PubChem CID98463384
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C21H16N4O3/c26-19-11-17(22-13-8-9-15-16(10-13)24-21(28)23-15)20(27)25(19)18-7-3-5-12-4-1-2-6-14(12)18/h1-10,17,22H,11H2,(H2,23,24,28)/t17-/m1/s1
InChIKeyYFOMEJJODUIDLU-QGZVFWFLSA-N
XLogP2.75
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione (CID 98463384) is (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione is O=C1C[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is YFOMEJJODUIDLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-19-11-17(22-13-8-9-15-16(10-13)24-21(28)23-15)20(27)25(19)18-7-3-5-12-4-1-2-6-14(12)18/h1-10,17,22H,11H2,(H2,23,24,28)/t17-/m1/s1.
What are the key properties of (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione?
(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 372.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 98463384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).