(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide

C24H18F3N3O3 — CID 10321659

IUPAC(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2Cc2cccc(OC(F)(F)F)c2)c1)NO
InChIInChI=1S/C24H18F3N3O3/c25-24(26,27)33-19-8-4-6-17(14-19)15-30-21-10-2-1-9-20(21)28-23(30)18-7-3-5-16(13-18)11-12-22(31)29-32/h1-14,32H,15H2,(H,29,31)/b12-11+
InChIKeyXGZZOQKYBSCXOK-VAWYXSNFSA-N
MW453.42 g/mol
LogP5.17
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 10321659) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID10321659
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2Cc2cccc(OC(F)(F)F)c2)c1)NO
InChIInChI=1S/C24H18F3N3O3/c25-24(26,27)33-19-8-4-6-17(14-19)15-30-21-10-2-1-9-20(21)28-23(30)18-7-3-5-16(13-18)11-12-22(31)29-32/h1-14,32H,15H2,(H,29,31)/b12-11+
InChIKeyXGZZOQKYBSCXOK-VAWYXSNFSA-N
XLogP5.17
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide (CID 10321659) is (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(-c2nc3ccccc3n2Cc2cccc(OC(F)(F)F)c2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is XGZZOQKYBSCXOK-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c25-24(26,27)33-19-8-4-6-17(14-19)15-30-21-10-2-1-9-20(21)28-23(30)18-7-3-5-16(13-18)11-12-22(31)29-32/h1-14,32H,15H2,(H,29,31)/b12-11+.
What are the key properties of (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 453.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 10321659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).