1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C13H14BrClFN3O — CID 107618196

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H14BrClFN3O/c1-8-7-19(13(18-8)17-3-4-20-2)12-10(14)5-9(16)6-11(12)15/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyXPJRAOOQCFKXOM-UHFFFAOYSA-N
MW362.63 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 107618196) has the molecular formula C13H14BrClFN3O and a molecular weight of 362.63 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID107618196
Molecular FormulaC13H14BrClFN3O
Molecular Weight362.63 g/mol
Exact Mass361.00
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H14BrClFN3O/c1-8-7-19(13(18-8)17-3-4-20-2)12-10(14)5-9(16)6-11(12)15/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyXPJRAOOQCFKXOM-UHFFFAOYSA-N
XLogP3.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.63
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 107618196) is 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1-c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is XPJRAOOQCFKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFN3O/c1-8-7-19(13(18-8)17-3-4-20-2)12-10(14)5-9(16)6-11(12)15/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 362.63 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 107618196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).