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'}

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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).