2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide

C17H15FN4OS — CID 5187301

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)CSc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN4OS/c1-11(12-6-8-13(18)9-7-12)21-22-16(23)10-24-17-19-14-4-2-3-5-15(14)20-17/h2-9,21H,1,10H2,(H,19,20)(H,22,23)
InChIKeyRQXVUXFZGDYQGZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.09
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide

2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide (PubChem CID 5187301) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
PubChem CID5187301
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)CSc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN4OS/c1-11(12-6-8-13(18)9-7-12)21-22-16(23)10-24-17-19-14-4-2-3-5-15(14)20-17/h2-9,21H,1,10H2,(H,19,20)(H,22,23)
InChIKeyRQXVUXFZGDYQGZ-UHFFFAOYSA-N
XLogP3.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]pyridine-4-carbohydrazide
CID 4690916
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505393
2-ethylsulfanyl-1H-benzimidazole;1-fluoro-4-prop-1-en-2-ylbenzene;N-methylformamide
CID 145486423
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 696957
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405
1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4653741
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide (CID 5187301) is 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide is C=C(NNC(=O)CSc1nc2ccccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide?
The InChIKey is RQXVUXFZGDYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-11(12-6-8-13(18)9-7-12)21-22-16(23)10-24-17-19-14-4-2-3-5-15(14)20-17/h2-9,21H,1,10H2,(H,19,20)(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide?
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide has a molecular weight of 342.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide is sourced from PubChem (CID 5187301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).