2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide

C18H15FN4OS — CID 7042834

IUPAC2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNC1=CCSc2ccc(F)cc21
InChIInChI=1S/C18H15FN4OS/c19-12-5-6-17-13(9-12)14(7-8-25-17)21-22-18(24)10-23-11-20-15-3-1-2-4-16(15)23/h1-7,9,11,21H,8,10H2,(H,22,24)
InChIKeyVCYTUXDIFHLFKA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.94
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide

2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide (PubChem CID 7042834) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide
PubChem CID7042834
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNC1=CCSc2ccc(F)cc21
InChIInChI=1S/C18H15FN4OS/c19-12-5-6-17-13(9-12)14(7-8-25-17)21-22-18(24)10-23-11-20-15-3-1-2-4-16(15)23/h1-7,9,11,21H,8,10H2,(H,22,24)
InChIKeyVCYTUXDIFHLFKA-UHFFFAOYSA-N
XLogP2.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 105085102
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 93242439
2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
CID 51896536
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3919507
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide?
The IUPAC name of 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide (CID 7042834) is 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide is O=C(Cn1cnc2ccccc21)NNC1=CCSc2ccc(F)cc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide?
The InChIKey is VCYTUXDIFHLFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c19-12-5-6-17-13(9-12)14(7-8-25-17)21-22-18(24)10-23-11-20-15-3-1-2-4-16(15)23/h1-7,9,11,21H,8,10H2,(H,22,24).
What are the key properties of 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide?
2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide has a molecular weight of 354.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide is sourced from PubChem (CID 7042834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).