(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one

C11H12N2O2S — CID 135505218

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
SMILESCCCSC1=N/C(=C\c2ccco2)C(=O)N1
InChIInChI=1S/C11H12N2O2S/c1-2-6-16-11-12-9(10(14)13-11)7-8-4-3-5-15-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b9-7-
InChIKeyPVGOLORXGVPNHA-CLFYSBASSA-N
MW236.30 g/mol
LogP2.25
Rot. Bonds3

About (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one (PubChem CID 135505218) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
PubChem CID135505218
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
SMILESCCCSC1=N/C(=C\c2ccco2)C(=O)N1
InChIInChI=1S/C11H12N2O2S/c1-2-6-16-11-12-9(10(14)13-11)7-8-4-3-5-15-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b9-7-
InChIKeyPVGOLORXGVPNHA-CLFYSBASSA-N
XLogP2.25
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one (CID 135505218) is (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one is CCCSC1=N/C(=C\c2ccco2)C(=O)N1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
The InChIKey is PVGOLORXGVPNHA-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-6-16-11-12-9(10(14)13-11)7-8-4-3-5-15-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b9-7-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one has a molecular weight of 236.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one is sourced from PubChem (CID 135505218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).