7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one

C15H18BrN3O — CID 138389810

IUPAC7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCc1cc(Br)ccc1C2
InChIInChI=1S/C15H18BrN3O/c1-9(2)19-14(20)18-13(17)15(19)6-5-10-7-12(16)4-3-11(10)8-15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKeyNJXKLVJGIOOBJP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.09
Rot. Bonds1

About 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one

7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one (PubChem CID 138389810) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one
PubChem CID138389810
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCc1cc(Br)ccc1C2
InChIInChI=1S/C15H18BrN3O/c1-9(2)19-14(20)18-13(17)15(19)6-5-10-7-12(16)4-3-11(10)8-15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKeyNJXKLVJGIOOBJP-UHFFFAOYSA-N
XLogP3.09
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one?
The IUPAC name of 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one (CID 138389810) is 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one.
What is the SMILES notation for 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one?
The canonical SMILES for 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCc1cc(Br)ccc1C2.
What is the InChIKey of 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one?
The InChIKey is NJXKLVJGIOOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(2)19-14(20)18-13(17)15(19)6-5-10-7-12(16)4-3-11(10)8-15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20).
What are the key properties of 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one?
7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one has a molecular weight of 336.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138389810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).