4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol

C14H12N4O2 — CID 135547152

IUPAC4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C14H12N4O2/c19-10-6-5-9(13(20)7-10)8-15-18-14-16-11-3-1-2-4-12(11)17-14/h1-8,19-20H,(H2,16,17,18)/b15-8+
InChIKeyCBZCKXFXCIWKBO-OVCLIPMQSA-N
MW268.28 g/mol
LogP2.42
Rot. Bonds3

About 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol

4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 135547152) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID135547152
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C14H12N4O2/c19-10-6-5-9(13(20)7-10)8-15-18-14-16-11-3-1-2-4-12(11)17-14/h1-8,19-20H,(H2,16,17,18)/b15-8+
InChIKeyCBZCKXFXCIWKBO-OVCLIPMQSA-N
XLogP2.42
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(2'-Hydroxyphenyl)benzimidazole
CID 18075
Cra_1144
CID 1506
2-hydroxy-3-methoxybenzaldehyde 1H-benzimidazol-2-ylhydrazone
CID 135533746
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}-6-nitrobenzene-1,3-diol
CID 135497940
Benzimidazole derivative 3
CID 5268800
2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine
CID 1505
2-[(1H-benzimidazol-2-ylamino)methyl]-4-methylphenol
CID 787402
2-[(2E)-(2,4,5-trimethoxybenzylidene)hydrazinylidene]-2,3-dihydro-1H-benzimidazole
CID 9632764
4-(diethylamino)-2-hydroxybenzaldehyde 1H-benzimidazol-2-ylhydrazone
CID 135490280
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135517035
4-(1H-benzimidazol-2-yl)phenol
CID 675624
4-[(E)-{[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl]benzene-1,3-diol
CID 917111

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol (CID 135547152) is 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1.
What is the InChIKey of 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is CBZCKXFXCIWKBO-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-10-6-5-9(13(20)7-10)8-15-18-14-16-11-3-1-2-4-12(11)17-14/h1-8,19-20H,(H2,16,17,18)/b15-8+.
What are the key properties of 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol has a molecular weight of 268.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 135547152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).