2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine

C16H22BrN3 — CID 84610828

IUPAC2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
SMILESCc1cc(C)c(C)c(-c2c(Br)nc(CCN)n2C)c1C
InChIInChI=1S/C16H22BrN3/c1-9-8-10(2)12(4)14(11(9)3)15-16(17)19-13(6-7-18)20(15)5/h8H,6-7,18H2,1-5H3
InChIKeyCXFIWCPVMPJDEA-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.58
Rot. Bonds3

About 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine

2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine (PubChem CID 84610828) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
PubChem CID84610828
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
SMILESCc1cc(C)c(C)c(-c2c(Br)nc(CCN)n2C)c1C
InChIInChI=1S/C16H22BrN3/c1-9-8-10(2)12(4)14(11(9)3)15-16(17)19-13(6-7-18)20(15)5/h8H,6-7,18H2,1-5H3
InChIKeyCXFIWCPVMPJDEA-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine
CID 84604920
2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol
CID 84611923
2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84605029
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604351
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
CID 84609648
[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 84606543
3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine
CID 84642992
[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine
CID 84604081
2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine
CID 84609508
2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84608558

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine (CID 84610828) is 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine is Cc1cc(C)c(C)c(-c2c(Br)nc(CCN)n2C)c1C.
What is the InChIKey of 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine?
The InChIKey is CXFIWCPVMPJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-9-8-10(2)12(4)14(11(9)3)15-16(17)19-13(6-7-18)20(15)5/h8H,6-7,18H2,1-5H3.
What are the key properties of 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine?
2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 84610828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).