2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C15H12Br2N4O2 — CID 136787411

IUPAC2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1ccc2nc(N/N=C\c3cc(Br)c(O)c(Br)c3O)[nH]c2c1
InChIInChI=1S/C15H12Br2N4O2/c1-7-2-3-10-11(4-7)20-15(19-10)21-18-6-8-5-9(16)14(23)12(17)13(8)22/h2-6,22-23H,1H3,(H2,19,20,21)/b18-6-
InChIKeyWSYILLYYQHBQAK-FXBPXSCXSA-N
MW440.10 g/mol
LogP4.25
Rot. Bonds3

About 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 136787411) has the molecular formula C15H12Br2N4O2 and a molecular weight of 440.10 g/mol. Its IUPAC name is 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID136787411
Molecular FormulaC15H12Br2N4O2
Molecular Weight440.10 g/mol
Exact Mass437.93
IUPAC Name2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1ccc2nc(N/N=C\c3cc(Br)c(O)c(Br)c3O)[nH]c2c1
InChIInChI=1S/C15H12Br2N4O2/c1-7-2-3-10-11(4-7)20-15(19-10)21-18-6-8-5-9(16)14(23)12(17)13(8)22/h2-6,22-23H,1H3,(H2,19,20,21)/b18-6-
InChIKeyWSYILLYYQHBQAK-FXBPXSCXSA-N
XLogP4.25
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.10
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 110512014
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110512019
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511979
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 110511816
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135685050
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511877
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-bromo-6-ethoxyphenol
CID 135590048
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dibromobenzene-1,3-diol
CID 2848685

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 136787411) is 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1ccc2nc(N/N=C\c3cc(Br)c(O)c(Br)c3O)[nH]c2c1.
What is the InChIKey of 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is WSYILLYYQHBQAK-FXBPXSCXSA-N. The full InChI is InChI=1S/C15H12Br2N4O2/c1-7-2-3-10-11(4-7)20-15(19-10)21-18-6-8-5-9(16)14(23)12(17)13(8)22/h2-6,22-23H,1H3,(H2,19,20,21)/b18-6-.
What are the key properties of 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 440.10 g/mol, XLogP of 4.25, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 136787411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).