(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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Related Compounds

5-(1H-Benzimidazol-2-ylsulfanyl)-2-furaldehyde
CID 698427
(E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 1618323
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2187558
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2189117
5-{[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene}-3-sec-butyl-1,3-thiazolidine-2,4-dione
CID 6151198
(5E)-5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-3-isopropyl-1,3-thiazolidine-2,4-dione
CID 7326481
5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1338937
2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 15945073
(1H-Benzoimidazol-2-ylsulfanyl)-acetic acid (5-methyl-furan-2-ylmethylene)-hydrazide
CID 5342643
5-[(5-Benzimidazol-2-ylthio-2-furyl)methylene]-1,3-dihydropyrimidine-2,4,6-tri one
CID 2225582
8-(1H-benzimidazol-2-ylsulfanyl)-7-(furan-2-ylmethyl)-3-methylpurine-2,6-dione
CID 122506020
Glut4-IN-2
CID 162673506

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).