2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol

C15H14N4O2 — CID 135433302

IUPAC2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N4O2/c1-21-11-6-7-14(20)10(8-11)9-16-19-15-17-12-4-2-3-5-13(12)18-15/h2-9,20H,1H3,(H2,17,18,19)/b16-9+
InChIKeyUMDHZYQJEOLTLP-CXUHLZMHSA-N
MW282.30 g/mol
LogP2.72
Rot. Bonds4

About 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol

2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol (PubChem CID 135433302) 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]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
PubChem CID135433302
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N4O2/c1-21-11-6-7-14(20)10(8-11)9-16-19-15-17-12-4-2-3-5-13(12)18-15/h2-9,20H,1H3,(H2,17,18,19)/b16-9+
InChIKeyUMDHZYQJEOLTLP-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol (CID 135433302) is 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol?
The InChIKey is UMDHZYQJEOLTLP-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-11-6-7-14(20)10(8-11)9-16-19-15-17-12-4-2-3-5-13(12)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]-4-methoxyphenol?
2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-4-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]-4-methoxyphenol is sourced from PubChem (CID 135433302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).