N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine

C12H13BrClN3 — CID 106577587

IUPACN-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClN3/c1-3-17-7-8(2)15-12(17)16-11-5-4-9(14)6-10(11)13/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyLKNZZLIJCUJTRH-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.37
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine

N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106577587) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106577587
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClN3/c1-3-17-7-8(2)15-12(17)16-11-5-4-9(14)6-10(11)13/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyLKNZZLIJCUJTRH-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106576656
N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
N-(2,6-difluoro-3-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106578611
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106557210
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81273250
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106580684
N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106561203

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106577587) is N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is LKNZZLIJCUJTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-3-17-7-8(2)15-12(17)16-11-5-4-9(14)6-10(11)13/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 314.61 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106577587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).