6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one

C18H14BrClN2OS — CID 143944279

IUPAC6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one
SMILESO=C1NC(=S)NC12CC(c1cccc(Cl)c1)Cc1ccc(Br)cc12
InChIInChI=1S/C18H14BrClN2OS/c19-13-5-4-11-6-12(10-2-1-3-14(20)7-10)9-18(15(11)8-13)16(23)21-17(24)22-18/h1-5,7-8,12H,6,9H2,(H2,21,22,23,24)
InChIKeyIBMKAPCVZWZEBS-UHFFFAOYSA-N
MW421.75 g/mol
LogP4.03
Rot. Bonds1

About 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one

6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one (PubChem CID 143944279) has the molecular formula C18H14BrClN2OS and a molecular weight of 421.75 g/mol. Its IUPAC name is 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one
PubChem CID143944279
Molecular FormulaC18H14BrClN2OS
Molecular Weight421.75 g/mol
Exact Mass419.97
IUPAC Name6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one
SMILESO=C1NC(=S)NC12CC(c1cccc(Cl)c1)Cc1ccc(Br)cc12
InChIInChI=1S/C18H14BrClN2OS/c19-13-5-4-11-6-12(10-2-1-3-14(20)7-10)9-18(15(11)8-13)16(23)21-17(24)22-18/h1-5,7-8,12H,6,9H2,(H2,21,22,23,24)
InChIKeyIBMKAPCVZWZEBS-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.75
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one (CID 143944279) is 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one is O=C1NC(=S)NC12CC(c1cccc(Cl)c1)Cc1ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one?
The InChIKey is IBMKAPCVZWZEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2OS/c19-13-5-4-11-6-12(10-2-1-3-14(20)7-10)9-18(15(11)8-13)16(23)21-17(24)22-18/h1-5,7-8,12H,6,9H2,(H2,21,22,23,24).
What are the key properties of 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one?
6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one has a molecular weight of 421.75 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chlorophenyl)-2'-sulfanylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 143944279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).