2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide

C25H24N4O6 — CID 20831265

IUPAC2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
SMILESCOc1cc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc([NH+]([O-])O)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O6/c1-33-21-12-15(13-22(34-2)23(21)35-3)11-20(28-25(30)16-7-5-4-6-8-16)24-26-18-10-9-17(29(31)32)14-19(18)27-24/h4-14,29,31H,1-3H3,(H,26,27)(H,28,30)/b20-11-
InChIKeyWLOAEQNLAFIFKU-JAIQZWGSSA-N
MW476.49 g/mol
LogP2.92
Rot. Bonds8

About 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide

2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide (PubChem CID 20831265) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide.

Molecular Properties

Compound Name2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
PubChem CID20831265
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Name2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
SMILESCOc1cc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc([NH+]([O-])O)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O6/c1-33-21-12-15(13-22(34-2)23(21)35-3)11-20(28-25(30)16-7-5-4-6-8-16)24-26-18-10-9-17(29(31)32)14-19(18)27-24/h4-14,29,31H,1-3H3,(H,26,27)(H,28,30)/b20-11-
InChIKeyWLOAEQNLAFIFKU-JAIQZWGSSA-N
XLogP2.92
TPSA133.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-1-benzamido-2-[3-[hydroxy(oxido)azaniumyl]phenyl]ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
CID 20831262
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
CID 5334230
N-[(Z)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
CID 135429949
N-[1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
CID 135503411
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
methyl 2-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;hydrochloride
CID 91941964
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
CID 5387521
(E)-2-(1H-benzimidazol-2-yl)-3-naphthalen-1-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 39885613
N-[3-oxo-3-(3,4,5-trimethoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 3335364
4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]benzonitrile
CID 94364266
N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
CID 134110139
(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 110535921

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide?
The IUPAC name of 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide (CID 20831265) is 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide.
What is the SMILES notation for 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide?
The canonical SMILES for 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide is COc1cc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc([NH+]([O-])O)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide?
The InChIKey is WLOAEQNLAFIFKU-JAIQZWGSSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-33-21-12-15(13-22(34-2)23(21)35-3)11-20(28-25(30)16-7-5-4-6-8-16)24-26-18-10-9-17(29(31)32)14-19(18)27-24/h4-14,29,31H,1-3H3,(H,26,27)(H,28,30)/b20-11-.
What are the key properties of 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide?
2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide has a molecular weight of 476.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide is sourced from PubChem (CID 20831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).