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

C15H13BrN4O — CID 137031247

IUPAC2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCn1c(N/N=C\c2ccc(O)c(Br)c2)nc2ccccc21
InChIInChI=1S/C15H13BrN4O/c1-20-13-5-3-2-4-12(13)18-15(20)19-17-9-10-6-7-14(21)11(16)8-10/h2-9,21H,1H3,(H,18,19)/b17-9-
InChIKeyQQHWEAXLKMMDGQ-MFOYZWKCSA-N
MW345.20 g/mol
LogP3.49
Rot. Bonds3

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

2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 137031247) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID137031247
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCn1c(N/N=C\c2ccc(O)c(Br)c2)nc2ccccc21
InChIInChI=1S/C15H13BrN4O/c1-20-13-5-3-2-4-12(13)18-15(20)19-17-9-10-6-7-14(21)11(16)8-10/h2-9,21H,1H3,(H,18,19)/b17-9-
InChIKeyQQHWEAXLKMMDGQ-MFOYZWKCSA-N
XLogP3.49
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031252
4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 137022224
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
4-bromo-2-[C-ethyl-N-[(1-methylbenzimidazol-2-yl)amino]carbonimidoyl]phenol
CID 136577172
N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]-1-methylbenzimidazol-2-amine
CID 127244194
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
2-bromo-6-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]-4-methoxyphenol
CID 137022227
5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787482
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol (CID 137031247) is 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol is Cn1c(N/N=C\c2ccc(O)c(Br)c2)nc2ccccc21.
What is the InChIKey of 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is QQHWEAXLKMMDGQ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-20-13-5-3-2-4-12(13)18-15(20)19-17-9-10-6-7-14(21)11(16)8-10/h2-9,21H,1H3,(H,18,19)/b17-9-.
What are the key properties of 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol?
2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 345.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137031247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).