5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one

C18H17BrN2O2S — CID 1334526

IUPAC5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)N(CC)C1=S
InChIInChI=1S/C18H17BrN2O2S/c1-3-20-15(17(22)21(4-2)18(20)24)11-14-9-10-16(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyIHYZZKNXMQNDLJ-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.52
Rot. Bonds4

About 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one

5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 1334526) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID1334526
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)N(CC)C1=S
InChIInChI=1S/C18H17BrN2O2S/c1-3-20-15(17(22)21(4-2)18(20)24)11-14-9-10-16(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyIHYZZKNXMQNDLJ-UHFFFAOYSA-N
XLogP4.52
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,3-diethyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 71966954
4-[5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 1227038
3-[5-[(Z)-(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 7364284
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140605217
3-[5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 508093
3-[(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 7045598
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3920866
4-[5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbutanoic acid
CID 72654961
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4645843
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842264
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(4-butylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136423

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one (CID 1334526) is 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)N(CC)C1=S.
What is the InChIKey of 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IHYZZKNXMQNDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c1-3-20-15(17(22)21(4-2)18(20)24)11-14-9-10-16(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one?
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 405.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 1334526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).