(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione

C18H16N4O3S — CID 121395616

IUPAC(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
InChIInChI=1S/C18H16N4O3S/c1-10(2)22-16(23)14(21-18(22)24)9-11-7-8-15(25-11)26-17-19-12-5-3-4-6-13(12)20-17/h3-10H,1-2H3,(H,19,20)(H,21,24)/b14-9-
InChIKeyXOFSNWGPOPTYBO-ZROIWOOFSA-N
MW368.42 g/mol
LogP3.61
Rot. Bonds4

About (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione

(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 121395616) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID121395616
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
InChIInChI=1S/C18H16N4O3S/c1-10(2)22-16(23)14(21-18(22)24)9-11-7-8-15(25-11)26-17-19-12-5-3-4-6-13(12)20-17/h3-10H,1-2H3,(H,19,20)(H,21,24)/b14-9-
InChIKeyXOFSNWGPOPTYBO-ZROIWOOFSA-N
XLogP3.61
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione (CID 121395616) is (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)N/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O.
What is the InChIKey of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is XOFSNWGPOPTYBO-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10(2)22-16(23)14(21-18(22)24)9-11-7-8-15(25-11)26-17-19-12-5-3-4-6-13(12)20-17/h3-10H,1-2H3,(H,19,20)(H,21,24)/b14-9-.
What are the key properties of (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione?
(5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 368.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 121395616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).