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

C15H14N4O2 — CID 3735374

IUPAC4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C15H14N4O2/c1-21-14-8-10(6-7-13(14)20)9-16-19-15-17-11-4-2-3-5-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19)
InChIKeyPWZFZUPDBHKSKN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.72
Rot. Bonds4

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

4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol (PubChem CID 3735374) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
PubChem CID3735374
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C15H14N4O2/c1-21-14-8-10(6-7-13(14)20)9-16-19-15-17-11-4-2-3-5-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19)
InChIKeyPWZFZUPDBHKSKN-UHFFFAOYSA-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_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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Frequently Asked Questions

What is the IUPAC name of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol (CID 3735374) is 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol is COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O.
What is the InChIKey of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
The InChIKey is PWZFZUPDBHKSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-14-8-10(6-7-13(14)20)9-16-19-15-17-11-4-2-3-5-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19).
What are the key properties of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol?
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-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 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol is sourced from PubChem (CID 3735374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).