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

C13H15BrN4 — CID 168628874

IUPAC1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCc1ccc(Br)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C13H15BrN4/c1-3-10-4-5-12(14)6-11(10)7-16-18-8-9(2)17-13(18)15/h4-8H,3H2,1-2H3,(H2,15,17)
InChIKeyVKGRPTGGNQBMEB-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.98
Rot. Bonds3

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

1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628874) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628874
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCc1ccc(Br)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C13H15BrN4/c1-3-10-4-5-12(14)6-11(10)7-16-18-8-9(2)17-13(18)15/h4-8H,3H2,1-2H3,(H2,15,17)
InChIKeyVKGRPTGGNQBMEB-UHFFFAOYSA-N
XLogP2.98
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.98
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-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628488
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
4-methyl-1-[(2,4,6-triethylphenyl)methylideneamino]imidazol-2-amine
CID 168630428
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(5-bromo-3-iodo-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630534
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
CID 168630885
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630162
1-[(3-bromo-5-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628683
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628715
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628874) is 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine is CCc1ccc(Br)cc1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is VKGRPTGGNQBMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-10-4-5-12(14)6-11(10)7-16-18-8-9(2)17-13(18)15/h4-8H,3H2,1-2H3,(H2,15,17).
What are the key properties of 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 307.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-ethylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).