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

C23H18F3N5O4 — CID 90809807

IUPACN'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide
SMILESO=C(NNc1cnccc1Cn1cc(O)n(-c2ccc(OC(F)(F)F)cc2)c1=O)c1ccccc1
InChIInChI=1S/C23H18F3N5O4/c24-23(25,26)35-18-8-6-17(7-9-18)31-20(32)14-30(22(31)34)13-16-10-11-27-12-19(16)28-29-21(33)15-4-2-1-3-5-15/h1-12,14,28,32H,13H2,(H,29,33)
InChIKeyPLWPKFHXVAHZSE-UHFFFAOYSA-N
MW485.42 g/mol
LogP3.44
Rot. Bonds7

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

N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide (PubChem CID 90809807) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide
PubChem CID90809807
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC NameN'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide
SMILESO=C(NNc1cnccc1Cn1cc(O)n(-c2ccc(OC(F)(F)F)cc2)c1=O)c1ccccc1
InChIInChI=1S/C23H18F3N5O4/c24-23(25,26)35-18-8-6-17(7-9-18)31-20(32)14-30(22(31)34)13-16-10-11-27-12-19(16)28-29-21(33)15-4-2-1-3-5-15/h1-12,14,28,32H,13H2,(H,29,33)
InChIKeyPLWPKFHXVAHZSE-UHFFFAOYSA-N
XLogP3.44
TPSA110.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 53.44
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

1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90922879
1-[[3-(4-chlorophenyl)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91243385
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967
[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
CID 91393119
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 91282632
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 90765475
4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210
tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
CID 91041066
ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide?
The IUPAC name of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide (CID 90809807) is N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide.
What is the SMILES notation for N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide?
The canonical SMILES for N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide is O=C(NNc1cnccc1Cn1cc(O)n(-c2ccc(OC(F)(F)F)cc2)c1=O)c1ccccc1.
What is the InChIKey of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide?
The InChIKey is PLWPKFHXVAHZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O4/c24-23(25,26)35-18-8-6-17(7-9-18)31-20(32)14-30(22(31)34)13-16-10-11-27-12-19(16)28-29-21(33)15-4-2-1-3-5-15/h1-12,14,28,32H,13H2,(H,29,33).
What are the key properties of N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide?
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide has a molecular weight of 485.42 g/mol, XLogP of 3.44, 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-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide is sourced from PubChem (CID 90809807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).