3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C21H17BrN4O3 — CID 2999215

IUPAC3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C21H17BrN4O3/c22-16-10-4-2-8-14(16)18-25-24-17(29-18)12-26-19(27)21(23-20(26)28)11-5-7-13-6-1-3-9-15(13)21/h1-4,6,8-10H,5,7,11-12H2,(H,23,28)
InChIKeyFIOPDQAMONLCJK-UHFFFAOYSA-N
MW453.30 g/mol
LogP3.78
Rot. Bonds3

About 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2999215) has the molecular formula C21H17BrN4O3 and a molecular weight of 453.30 g/mol. Its IUPAC name is 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID2999215
Molecular FormulaC21H17BrN4O3
Molecular Weight453.30 g/mol
Exact Mass452.05
IUPAC Name3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C21H17BrN4O3/c22-16-10-4-2-8-14(16)18-25-24-17(29-18)12-26-19(27)21(23-20(26)28)11-5-7-13-6-1-3-9-15(13)21/h1-4,6,8-10H,5,7,11-12H2,(H,23,28)
InChIKeyFIOPDQAMONLCJK-UHFFFAOYSA-N
XLogP3.78
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 2999215) is 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3ccccc32)C(=O)N1Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is FIOPDQAMONLCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O3/c22-16-10-4-2-8-14(16)18-25-24-17(29-18)12-26-19(27)21(23-20(26)28)11-5-7-13-6-1-3-9-15(13)21/h1-4,6,8-10H,5,7,11-12H2,(H,23,28).
What are the key properties of 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 453.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2999215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).