(5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C16H10BrClN2OS — CID 6434273

IUPAC(5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)NC(=S)N1c1ccc(Br)cc1
InChIInChI=1S/C16H10BrClN2OS/c17-11-4-6-13(7-5-11)20-15(21)14(19-16(20)22)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,22)/b14-9-
InChIKeyPMYXIPCHUXJSMD-ZROIWOOFSA-N
MW393.69 g/mol
LogP4.36
Rot. Bonds2

About (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 6434273) has the molecular formula C16H10BrClN2OS and a molecular weight of 393.69 g/mol. Its IUPAC name is (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID6434273
Molecular FormulaC16H10BrClN2OS
Molecular Weight393.69 g/mol
Exact Mass391.94
IUPAC Name(5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)NC(=S)N1c1ccc(Br)cc1
InChIInChI=1S/C16H10BrClN2OS/c17-11-4-6-13(7-5-11)20-15(21)14(19-16(20)22)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,22)/b14-9-
InChIKeyPMYXIPCHUXJSMD-ZROIWOOFSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.69
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 6434612
(5E)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1487296
5-[(3-chlorophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 71318776
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
CID 6434585
(5Z)-3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435152
(5E)-5-[(4-bromophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492858
(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26495085
(5E)-5-[(3-chlorophenyl)methylidene]-3-(2-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546727
(5Z)-3-(3-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435145
(5Z)-3-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6434268
(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 751927
(5Z)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2190076

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 6434273) is (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/c2cccc(Cl)c2)NC(=S)N1c1ccc(Br)cc1.
What is the InChIKey of (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PMYXIPCHUXJSMD-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H10BrClN2OS/c17-11-4-6-13(7-5-11)20-15(21)14(19-16(20)22)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,22)/b14-9-.
What are the key properties of (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 393.69 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-bromophenyl)-5-[(3-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6434273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).