5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine

C12H16BrN3 — CID 79509285

IUPAC5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1ccccc1Br
InChIInChI=1S/C12H16BrN3/c1-3-16-11(14)15-8-12(16,2)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyOWYPSJSKHURNBB-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.31
Rot. Bonds2

About 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine

5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79509285) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
PubChem CID79509285
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1ccccc1Br
InChIInChI=1S/C12H16BrN3/c1-3-16-11(14)15-8-12(16,2)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyOWYPSJSKHURNBB-UHFFFAOYSA-N
XLogP2.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine (CID 79509285) is 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is OWYPSJSKHURNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-3-16-11(14)15-8-12(16,2)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 282.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).