1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one

C11H14BrN3O2S — CID 82841219

IUPAC1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one
SMILESNc1ccc(S(=O)CCN2CCNC2=O)c(Br)c1
InChIInChI=1S/C11H14BrN3O2S/c12-9-7-8(13)1-2-10(9)18(17)6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyBJMWLKRKCCMROA-UHFFFAOYSA-N
MW332.22 g/mol
LogP1.16
Rot. Bonds4

About 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one

1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one (PubChem CID 82841219) has the molecular formula C11H14BrN3O2S and a molecular weight of 332.22 g/mol. Its IUPAC name is 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one
PubChem CID82841219
Molecular FormulaC11H14BrN3O2S
Molecular Weight332.22 g/mol
Exact Mass331.00
IUPAC Name1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one
SMILESNc1ccc(S(=O)CCN2CCNC2=O)c(Br)c1
InChIInChI=1S/C11H14BrN3O2S/c12-9-7-8(13)1-2-10(9)18(17)6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyBJMWLKRKCCMROA-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one (CID 82841219) is 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one is Nc1ccc(S(=O)CCN2CCNC2=O)c(Br)c1.
What is the InChIKey of 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one?
The InChIKey is BJMWLKRKCCMROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S/c12-9-7-8(13)1-2-10(9)18(17)6-5-15-4-3-14-11(15)16/h1-2,7H,3-6,13H2,(H,14,16).
What are the key properties of 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one?
1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one has a molecular weight of 332.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-bromophenyl)sulfinylethyl]imidazolidin-2-one is sourced from PubChem (CID 82841219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).