4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol

C16H16N4O2 — CID 137022224

IUPAC4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESCCn1c(N/N=C\c2ccc(O)c(O)c2)nc2ccccc21
InChIInChI=1S/C16H16N4O2/c1-2-20-13-6-4-3-5-12(13)18-16(20)19-17-10-11-7-8-14(21)15(22)9-11/h3-10,21-22H,2H2,1H3,(H,18,19)/b17-10-
InChIKeyQTCJDCUOCSJWHF-YVLHZVERSA-N
MW296.33 g/mol
LogP2.91
Rot. Bonds4

About 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol

4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 137022224) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID137022224
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESCCn1c(N/N=C\c2ccc(O)c(O)c2)nc2ccccc21
InChIInChI=1S/C16H16N4O2/c1-2-20-13-6-4-3-5-12(13)18-16(20)19-17-10-11-7-8-14(21)15(22)9-11/h3-10,21-22H,2H2,1H3,(H,18,19)/b17-10-
InChIKeyQTCJDCUOCSJWHF-YVLHZVERSA-N
XLogP2.91
TPSA82.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 136757744
2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol
CID 137022214
2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031247
2-bromo-6-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4-methoxyphenol
CID 137022227
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4175355
4-bromo-2-[[(1-ethylbenzimidazol-2-yl)amino]methyl]phenol
CID 787412
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031252

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 137022224) is 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol is CCn1c(N/N=C\c2ccc(O)c(O)c2)nc2ccccc21.
What is the InChIKey of 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is QTCJDCUOCSJWHF-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-20-13-6-4-3-5-12(13)18-16(20)19-17-10-11-7-8-14(21)15(22)9-11/h3-10,21-22H,2H2,1H3,(H,18,19)/b17-10-.
What are the key properties of 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 296.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 137022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).