5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol

C11H10Br2N4O — CID 168630885

IUPAC5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
SMILESCc1cn(N=Cc2cc(O)c(Br)cc2Br)c(N)n1
InChIInChI=1S/C11H10Br2N4O/c1-6-5-17(11(14)16-6)15-4-7-2-10(18)9(13)3-8(7)12/h2-5,18H,1H3,(H2,14,16)
InChIKeyUZSMIAQNJHTFTK-UHFFFAOYSA-N
MW374.04 g/mol
LogP2.89
Rot. Bonds2

About 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol

5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol (PubChem CID 168630885) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol.

Molecular Properties

Compound Name5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
PubChem CID168630885
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
SMILESCc1cn(N=Cc2cc(O)c(Br)cc2Br)c(N)n1
InChIInChI=1S/C11H10Br2N4O/c1-6-5-17(11(14)16-6)15-4-7-2-10(18)9(13)3-8(7)12/h2-5,18H,1H3,(H2,14,16)
InChIKeyUZSMIAQNJHTFTK-UHFFFAOYSA-N
XLogP2.89
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dichlorophenol
CID 168630803
1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628715
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
1-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629902
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-bromo-4-chlorophenol
CID 168631325
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-4-(4-fluorophenyl)phenol
CID 168631348

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol?
The IUPAC name of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol (CID 168630885) is 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol.
What is the SMILES notation for 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol?
The canonical SMILES for 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol is Cc1cn(N=Cc2cc(O)c(Br)cc2Br)c(N)n1.
What is the InChIKey of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol?
The InChIKey is UZSMIAQNJHTFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c1-6-5-17(11(14)16-6)15-4-7-2-10(18)9(13)3-8(7)12/h2-5,18H,1H3,(H2,14,16).
What are the key properties of 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol?
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol has a molecular weight of 374.04 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol is sourced from PubChem (CID 168630885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).