2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol

C11H14N4O2 — CID 135636667

IUPAC2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/NC2=NCCN2)c1
InChIInChI=1S/C11H14N4O2/c1-17-9-2-3-10(16)8(6-9)7-14-15-11-12-4-5-13-11/h2-3,6-7,16H,4-5H2,1H3,(H2,12,13,15)/b14-7+
InChIKeyHRZRUORCDDRFMP-VGOFMYFVSA-N
MW234.26 g/mol
LogP0.28
Rot. Bonds3

About 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol

2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol (PubChem CID 135636667) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
PubChem CID135636667
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/NC2=NCCN2)c1
InChIInChI=1S/C11H14N4O2/c1-17-9-2-3-10(16)8(6-9)7-14-15-11-12-4-5-13-11/h2-3,6-7,16H,4-5H2,1H3,(H2,12,13,15)/b14-7+
InChIKeyHRZRUORCDDRFMP-VGOFMYFVSA-N
XLogP0.28
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
1,2,3-tris[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]guanidine
CID 135699356
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
CID 177469296
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 136691106
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
4-methoxy-2-[(E)-[[3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]hydrazinylidene]methyl]phenol
CID 135726712
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
N-(pyridin-1-ium-4-ylmethylideneamino)-4,5-dihydro-1H-imidazol-2-amine
CID 135761167
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 3287632
N-(2-fluoro-5-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400318
bis(copper(1+));bis(N'-ethyl-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]carbamimidothioate)
CID 135484932

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol (CID 135636667) is 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/NC2=NCCN2)c1.
What is the InChIKey of 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The InChIKey is HRZRUORCDDRFMP-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-17-9-2-3-10(16)8(6-9)7-14-15-11-12-4-5-13-11/h2-3,6-7,16H,4-5H2,1H3,(H2,12,13,15)/b14-7+.
What are the key properties of 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol has a molecular weight of 234.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol is sourced from PubChem (CID 135636667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).