2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol

C17H17BrN4O2 — CID 137031252

IUPAC2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2nc3ccccc3n2C)cc(Br)c1O
InChIInChI=1S/C17H17BrN4O2/c1-3-24-15-9-11(8-12(18)16(15)23)10-19-21-17-20-13-6-4-5-7-14(13)22(17)2/h4-10,23H,3H2,1-2H3,(H,20,21)/b19-10-
InChIKeyBXANARZPPJSTJR-GRSHGNNSSA-N
MW389.25 g/mol
LogP3.89
Rot. Bonds5

About 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol

2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 137031252) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID137031252
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2nc3ccccc3n2C)cc(Br)c1O
InChIInChI=1S/C17H17BrN4O2/c1-3-24-15-9-11(8-12(18)16(15)23)10-19-21-17-20-13-6-4-5-7-14(13)22(17)2/h4-10,23H,3H2,1-2H3,(H,20,21)/b19-10-
InChIKeyBXANARZPPJSTJR-GRSHGNNSSA-N
XLogP3.89
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-bromo-6-methoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031249
2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031247
4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-bromo-6-ethoxyphenol
CID 135590048
2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136786911
2-bromo-6-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenol
CID 136712180
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
2-bromo-6-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4-methoxyphenol
CID 137022227
N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]-1-methylbenzimidazol-2-amine
CID 127244194
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
2-bromo-4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 135628772
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol (CID 137031252) is 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N\Nc2nc3ccccc3n2C)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BXANARZPPJSTJR-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c1-3-24-15-9-11(8-12(18)16(15)23)10-19-21-17-20-13-6-4-5-7-14(13)22(17)2/h4-10,23H,3H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 389.25 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137031252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).