2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol

C16H14I2N4O — CID 137022214

IUPAC2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol
SMILESCCn1c(N/N=C\c2cc(I)cc(I)c2O)nc2ccccc21
InChIInChI=1S/C16H14I2N4O/c1-2-22-14-6-4-3-5-13(14)20-16(22)21-19-9-10-7-11(17)8-12(18)15(10)23/h3-9,23H,2H2,1H3,(H,20,21)/b19-9-
InChIKeyLQLPRCJDKMCRQP-OCKHKDLRSA-N
MW532.12 g/mol
LogP4.42
Rot. Bonds4

About 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol

2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol (PubChem CID 137022214) has the molecular formula C16H14I2N4O and a molecular weight of 532.12 g/mol. Its IUPAC name is 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol
PubChem CID137022214
Molecular FormulaC16H14I2N4O
Molecular Weight532.12 g/mol
Exact Mass531.93
IUPAC Name2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol
SMILESCCn1c(N/N=C\c2cc(I)cc(I)c2O)nc2ccccc21
InChIInChI=1S/C16H14I2N4O/c1-2-22-14-6-4-3-5-13(14)20-16(22)21-19-9-10-7-11(17)8-12(18)15(10)23/h3-9,23H,2H2,1H3,(H,20,21)/b19-9-
InChIKeyLQLPRCJDKMCRQP-OCKHKDLRSA-N
XLogP4.42
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.12
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4-methoxyphenol
CID 137022227
4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 137022224
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 4164153
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 4255519
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136803625
2-[(E)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol
CID 135509019
2-[(E)-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-diiodophenol;hydrochloride
CID 136611939
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
CID 23266662

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol?
The IUPAC name of 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol (CID 137022214) is 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol is CCn1c(N/N=C\c2cc(I)cc(I)c2O)nc2ccccc21.
What is the InChIKey of 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol?
The InChIKey is LQLPRCJDKMCRQP-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14I2N4O/c1-2-22-14-6-4-3-5-13(14)20-16(22)21-19-9-10-7-11(17)8-12(18)15(10)23/h3-9,23H,2H2,1H3,(H,20,21)/b19-9-.
What are the key properties of 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol?
2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol has a molecular weight of 532.12 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4,6-diiodophenol is sourced from PubChem (CID 137022214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).