1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine

C13H15BrClN3O — CID 106580686

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H15BrClN3O/c1-9-7-10(14)12(8-11(9)15)18-5-3-16-13(18)17-4-6-19-2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)
InChIKeySUUCNFQFTQKRDE-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine

1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106580686) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106580686
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H15BrClN3O/c1-9-7-10(14)12(8-11(9)15)18-5-3-16-13(18)17-4-6-19-2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)
InChIKeySUUCNFQFTQKRDE-UHFFFAOYSA-N
XLogP3.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 107605184
1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106580610
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
N-(2-methoxyethyl)-1-[2-(2-methoxyethyl)phenyl]imidazol-2-amine
CID 106582959
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106580659
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
CID 107590771
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine (CID 106580686) is 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1-c1cc(Cl)c(C)cc1Br.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is SUUCNFQFTQKRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-9-7-10(14)12(8-11(9)15)18-5-3-16-13(18)17-4-6-19-2/h3,5,7-8H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 344.64 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106580686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).