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

C14H12N4O2 — CID 3134920

IUPAC4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(C=NNc2nc3ccccc3[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)
InChIKeyCBZCKXFXCIWKBO-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.42
Rot. Bonds3

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

4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 3134920) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID3134920
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(C=NNc2nc3ccccc3[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)
InChIKeyCBZCKXFXCIWKBO-UHFFFAOYSA-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-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
CID 135492228
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 21370286
6-benzyl-3-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135520951
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 4151139

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol (CID 3134920) is 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol is Oc1ccc(C=NNc2nc3ccccc3[nH]2)c(O)c1.
What is the InChIKey of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is CBZCKXFXCIWKBO-UHFFFAOYSA-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).
What are the key properties of 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
4-[(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-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 3134920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).