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

C11H14N4O2 — CID 135484925

IUPAC4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/NC2=NCCN2)ccc1O
InChIInChI=1S/C11H14N4O2/c1-17-10-6-8(2-3-9(10)16)7-14-15-11-12-4-5-13-11/h2-3,6-7,16H,4-5H2,1H3,(H2,12,13,15)/b14-7+
InChIKeySZFBDODDCDWPPU-VGOFMYFVSA-N
MW234.26 g/mol
LogP0.28
Rot. Bonds3

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

4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol (PubChem CID 135484925) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
PubChem CID135484925
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/NC2=NCCN2)ccc1O
InChIInChI=1S/C11H14N4O2/c1-17-10-6-8(2-3-9(10)16)7-14-15-11-12-4-5-13-11/h2-3,6-7,16H,4-5H2,1H3,(H2,12,13,15)/b14-7+
InChIKeySZFBDODDCDWPPU-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_B(215)', '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-Methoxy-4-[(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazonomethyl]-phenol
CID 135576363
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
Tyrosinase-IN-1
CID 137138791
5-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
CID 135412161
1-cyclohexyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135616073
3-Hydroxy-4-Methoxybenzaldehyde Thiosemicarbazone
CID 6870649
2-methoxy-5-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
CID 6858452
Semicarbazide, 1-(4-hydroxy-3-methoxybenzylidene)-3-thio-
CID 135704545
2,3,4-trimethoxybenzaldehyde 4,5-dihydro-1H-imidazol-2-yl(methyl)hydrazone
CID 56642895
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135521471
4-Hydroxy-3-methoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135454401
4-[(4,6-Bis-ethylamino-[1,3,5]triazin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135524565

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol (CID 135484925) is 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol is COc1cc(/C=N/NC2=NCCN2)ccc1O.
What is the InChIKey of 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The InChIKey is SZFBDODDCDWPPU-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-17-10-6-8(2-3-9(10)16)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 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-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 4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol is sourced from PubChem (CID 135484925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).