N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide

C23H18F3N5O3S — CID 91282632

IUPACN'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(Cn2cc(O)n(-c3ccc(SC(F)(F)F)cc3)c2=O)ccn1)c1ccccc1
InChIInChI=1S/C23H18F3N5O3S/c24-23(25,26)35-18-8-6-17(7-9-18)31-20(32)14-30(22(31)34)13-15-10-11-27-19(12-15)28-29-21(33)16-4-2-1-3-5-16/h1-12,14,32H,13H2,(H,27,28)(H,29,33)
InChIKeyMZKNFDXFSKVLPJ-UHFFFAOYSA-N
MW501.49 g/mol
LogP4.16
Rot. Bonds7

About N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide

N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide (PubChem CID 91282632) has the molecular formula C23H18F3N5O3S and a molecular weight of 501.49 g/mol. Its IUPAC name is N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
PubChem CID91282632
Molecular FormulaC23H18F3N5O3S
Molecular Weight501.49 g/mol
Exact Mass501.11
IUPAC NameN'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
SMILESO=C(NNc1cc(Cn2cc(O)n(-c3ccc(SC(F)(F)F)cc3)c2=O)ccn1)c1ccccc1
InChIInChI=1S/C23H18F3N5O3S/c24-23(25,26)35-18-8-6-17(7-9-18)31-20(32)14-30(22(31)34)13-15-10-11-27-19(12-15)28-29-21(33)16-4-2-1-3-5-16/h1-12,14,32H,13H2,(H,27,28)(H,29,33)
InChIKeyMZKNFDXFSKVLPJ-UHFFFAOYSA-N
XLogP4.16
TPSA101.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-({4-[(5,5-dimethyl-2,4-dioxo-3-{4-[(trifluoro-methyl)thio]phenyl}imidazolidin-1-yl)methyl]pyridin-2-yl}amino)-N,N-dimethylbenzamide
CID 24740031
3-[[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]amino]-N-methylbenzamide
CID 57625073
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]-4-methylbenzamide
CID 59694321
N'-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]benzohydrazide
CID 68445894
N'-[4-[[2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]benzohydrazide
CID 68446219
N'-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzohydrazide
CID 68446554
N'-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 68446846
N'-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 68447613
N-[4-[[2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]benzamide
CID 68447681
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-fluorobenzamide
CID 68448274
N'-[4-[[2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridin-3-yl]benzohydrazide
CID 68448376
N-[4-[[5,7-dioxo-6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]benzamide
CID 68448824

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide?
The IUPAC name of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide (CID 91282632) is N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide.
What is the SMILES notation for N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide?
The canonical SMILES for N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide is O=C(NNc1cc(Cn2cc(O)n(-c3ccc(SC(F)(F)F)cc3)c2=O)ccn1)c1ccccc1.
What is the InChIKey of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide?
The InChIKey is MZKNFDXFSKVLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3S/c24-23(25,26)35-18-8-6-17(7-9-18)31-20(32)14-30(22(31)34)13-15-10-11-27-19(12-15)28-29-21(33)16-4-2-1-3-5-16/h1-12,14,32H,13H2,(H,27,28)(H,29,33).
What are the key properties of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide?
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide has a molecular weight of 501.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide is sourced from PubChem (CID 91282632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).