2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine

C15H20BrN3 — CID 84604920

IUPAC2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(Br)c(CCN)n2C)c(C)c1
InChIInChI=1S/C15H20BrN3/c1-9-7-10(2)13(11(3)8-9)15-18-14(16)12(5-6-17)19(15)4/h7-8H,5-6,17H2,1-4H3
InChIKeyRPAAPXNWPCXHOR-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.28
Rot. Bonds3

About 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine

2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine (PubChem CID 84604920) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine
PubChem CID84604920
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(Br)c(CCN)n2C)c(C)c1
InChIInChI=1S/C15H20BrN3/c1-9-7-10(2)13(11(3)8-9)15-18-14(16)12(5-6-17)19(15)4/h7-8H,5-6,17H2,1-4H3
InChIKeyRPAAPXNWPCXHOR-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine (CID 84604920) is 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine is Cc1cc(C)c(-c2nc(Br)c(CCN)n2C)c(C)c1.
What is the InChIKey of 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is RPAAPXNWPCXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-9-7-10(2)13(11(3)8-9)15-18-14(16)12(5-6-17)19(15)4/h7-8H,5-6,17H2,1-4H3.
What are the key properties of 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine?
2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 84604920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).