N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine

C12H13BrClN3 — CID 106576656

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

About N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine

N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106576656) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106576656
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC NameN-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H13BrClN3/c1-3-17-7-8(2)15-12(17)16-9-4-5-11(14)10(13)6-9/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyNLWQVVHXRYWXJS-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-methylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106573029
N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
CID 106562338
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106580684
4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106576656) is N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is NLWQVVHXRYWXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-3-17-7-8(2)15-12(17)16-9-4-5-11(14)10(13)6-9/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(3-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-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106576656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).