2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one

C12H14BrN3O — CID 71263668

IUPAC2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
SMILESNC1NC(=O)C2(CCc3c(Br)cccc3C2)N1
InChIInChI=1S/C12H14BrN3O/c13-9-3-1-2-7-6-12(5-4-8(7)9)10(17)15-11(14)16-12/h1-3,11,16H,4-6,14H2,(H,15,17)
InChIKeyYQGYCEXKNIMLPO-UHFFFAOYSA-N
MW296.17 g/mol
LogP0.64
Rot. Bonds

About 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one

2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one (PubChem CID 71263668) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
PubChem CID71263668
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
SMILESNC1NC(=O)C2(CCc3c(Br)cccc3C2)N1
InChIInChI=1S/C12H14BrN3O/c13-9-3-1-2-7-6-12(5-4-8(7)9)10(17)15-11(14)16-12/h1-3,11,16H,4-6,14H2,(H,15,17)
InChIKeyYQGYCEXKNIMLPO-UHFFFAOYSA-N
XLogP0.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one?
The IUPAC name of 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one (CID 71263668) is 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one.
What is the SMILES notation for 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one?
The canonical SMILES for 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one is NC1NC(=O)C2(CCc3c(Br)cccc3C2)N1.
What is the InChIKey of 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one?
The InChIKey is YQGYCEXKNIMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-9-3-1-2-7-6-12(5-4-8(7)9)10(17)15-11(14)16-12/h1-3,11,16H,4-6,14H2,(H,15,17).
What are the key properties of 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one?
2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one has a molecular weight of 296.17 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one is sourced from PubChem (CID 71263668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).