N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide

C19H17F3N4O3S — CID 55405766

IUPACN'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C19H17F3N4O3S/c1-11(29-15-9-5-2-6-12(15)20)17(28)25-24-16(27)10-26-14-8-4-3-7-13(14)23-19(26)30-18(21)22/h2-9,11,18H,10H2,1H3,(H,24,27)(H,25,28)
InChIKeyULLWHDQTXNASFJ-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.11
Rot. Bonds7

About N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide

N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide (PubChem CID 55405766) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
PubChem CID55405766
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC NameN'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C19H17F3N4O3S/c1-11(29-15-9-5-2-6-12(15)20)17(28)25-24-16(27)10-26-14-8-4-3-7-13(14)23-19(26)30-18(21)22/h2-9,11,18H,10H2,1H3,(H,24,27)(H,25,28)
InChIKeyULLWHDQTXNASFJ-UHFFFAOYSA-N
XLogP3.11
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.11
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

1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
N-[2-(difluoromethoxy)phenyl]-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 78816234
2-(2-fluorophenoxy)-N'-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]propanehydrazide
CID 43035304
N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 26311908
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide
CID 55729502
methyl 4-[[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate
CID 55406136
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 26703232

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide (CID 55405766) is N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)Cn1c(SC(F)F)nc2ccccc21.
What is the InChIKey of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide?
The InChIKey is ULLWHDQTXNASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-11(29-15-9-5-2-6-12(15)20)17(28)25-24-16(27)10-26-14-8-4-3-7-13(14)23-19(26)30-18(21)22/h2-9,11,18H,10H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide?
N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide has a molecular weight of 438.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 55405766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).