1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine

C11H10BrFN4 — CID 168600756

IUPAC1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(Br)ccc2F)c(N)n1
InChIInChI=1S/C11H10BrFN4/c1-7-6-17(11(14)16-7)15-5-8-4-9(12)2-3-10(8)13/h2-6H,1H3,(H2,14,16)
InChIKeyYBEPWYYSWXXVQT-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.56
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168600756) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168600756
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(Br)ccc2F)c(N)n1
InChIInChI=1S/C11H10BrFN4/c1-7-6-17(11(14)16-7)15-5-8-4-9(12)2-3-10(8)13/h2-6H,1H3,(H2,14,16)
InChIKeyYBEPWYYSWXXVQT-UHFFFAOYSA-N
XLogP2.56
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628874
1-[(2-fluoro-5-methylsulfonylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631296
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168629682
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
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-4-(4-fluorophenyl)phenol
CID 168631348

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168600756) is 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc(Br)ccc2F)c(N)n1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is YBEPWYYSWXXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-7-6-17(11(14)16-7)15-5-8-4-9(12)2-3-10(8)13/h2-6H,1H3,(H2,14,16).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 297.13 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168600756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).