2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide

C17H18N4OS2 — CID 5110690

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide
SMILESC=C(NNC(=O)CSc1nc2ccccc2n1CC)c1cccs1
InChIInChI=1S/C17H18N4OS2/c1-3-21-14-8-5-4-7-13(14)18-17(21)24-11-16(22)20-19-12(2)15-9-6-10-23-15/h4-10,19H,2-3,11H2,1H3,(H,20,22)
InChIKeyILPFTADMXAXJHA-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.50
Rot. Bonds7

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide (PubChem CID 5110690) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide
PubChem CID5110690
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide
SMILESC=C(NNC(=O)CSc1nc2ccccc2n1CC)c1cccs1
InChIInChI=1S/C17H18N4OS2/c1-3-21-14-8-5-4-7-13(14)18-17(21)24-11-16(22)20-19-12(2)15-9-6-10-23-15/h4-10,19H,2-3,11H2,1H3,(H,20,22)
InChIKeyILPFTADMXAXJHA-UHFFFAOYSA-N
XLogP3.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673730
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4814186
1-ethyl-2-methyl-N'-(1-thiophen-2-ylethenyl)benzimidazole-5-carbohydrazide
CID 2397383
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
CID 7005933

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide (CID 5110690) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide is C=C(NNC(=O)CSc1nc2ccccc2n1CC)c1cccs1.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide?
The InChIKey is ILPFTADMXAXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-3-21-14-8-5-4-7-13(14)18-17(21)24-11-16(22)20-19-12(2)15-9-6-10-23-15/h4-10,19H,2-3,11H2,1H3,(H,20,22).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide has a molecular weight of 358.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide is sourced from PubChem (CID 5110690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).