2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol

C15H14N4O2 — CID 135533746

IUPAC2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C15H14N4O2/c1-21-13-8-4-5-10(14(13)20)9-16-19-15-17-11-6-2-3-7-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19)/b16-9+
InChIKeyGDCCYFMANFPAHA-CXUHLZMHSA-N
MW282.30 g/mol
LogP2.72
Rot. Bonds4

About 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol

2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol (PubChem CID 135533746) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol
PubChem CID135533746
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C15H14N4O2/c1-21-13-8-4-5-10(14(13)20)9-16-19-15-17-11-6-2-3-7-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19)/b16-9+
InChIKeyGDCCYFMANFPAHA-CXUHLZMHSA-N
XLogP2.72
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine
CID 445847
Cra_10655
CID 447480
Cra_10656
CID 447482
Cra_11092
CID 447490
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
2-Methoxy-6-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
CID 715201
2-(3,4-dimethoxyphenyl)-1H-benzimidazole
CID 345698
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
CID 135642403
2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 787430
2-Methoxy-6-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 889926
2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1H-benzimidazole
CID 5723398
2-[(2E)-(2,4,5-trimethoxybenzylidene)hydrazinylidene]-2,3-dihydro-1H-benzimidazole
CID 9632764

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol (CID 135533746) is 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1O.
What is the InChIKey of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol?
The InChIKey is GDCCYFMANFPAHA-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-8-4-5-10(14(13)20)9-16-19-15-17-11-6-2-3-7-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19)/b16-9+.
What are the key properties of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol?
2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol has a molecular weight of 282.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxyphenol is sourced from PubChem (CID 135533746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).