2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide

C14H12N4O2S — CID 6886508

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1
InChIInChI=1S/C14H12N4O2S/c19-13(18-15-8-10-4-3-7-20-10)9-21-14-16-11-5-1-2-6-12(11)17-14/h1-8H,9H2,(H,16,17)(H,18,19)/b15-8+
InChIKeyFALLSQZWJVANIS-OVCLIPMQSA-N
MW300.34 g/mol
LogP2.40
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 6886508) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID6886508
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1
InChIInChI=1S/C14H12N4O2S/c19-13(18-15-8-10-4-3-7-20-10)9-21-14-16-11-5-1-2-6-12(11)17-14/h1-8H,9H2,(H,16,17)(H,18,19)/b15-8+
InChIKeyFALLSQZWJVANIS-OVCLIPMQSA-N
XLogP2.40
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 5344473
5-(1H-Benzimidazol-2-ylsulfanyl)-2-furaldehyde
CID 698427
N'-[(E)-2-furylmethylidene]-1H-benzimidazole-6-carbohydrazide
CID 9557790
N'-[(E,2E)-3-(2-Furyl)-2-methyl-2-propenylidene]-2-[(1-methyl-1H-benzimidazol-2-YL)sulfanyl]acetohydrazide
CID 9633459
N'-(3-(2-Furyl)-2-propenylidene)2((1-ME-1H-benzimidazol-2-YL)thio)acetohydrazide
CID 9635427
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2187558
2-[(E)-2-(furan-2-yl)ethenyl]-1H-benzimidazole
CID 5343732
2-({[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-1H-benzimidazole
CID 659826
2-{5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-furan-2-ylmethyl-acetamide
CID 645937
(2-Methyl-benzoimidazol-1-yl)-acetic acid (5-methyl-furan-2-ylmethylene)-hydrazide
CID 5405991
2-[(1-ethyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide
CID 9552852

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 6886508) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide is O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is FALLSQZWJVANIS-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-13(18-15-8-10-4-3-7-20-10)9-21-14-16-11-5-1-2-6-12(11)17-14/h1-8H,9H2,(H,16,17)(H,18,19)/b15-8+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6886508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).