2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine

C15H20BrN3 — CID 84605029

IUPAC2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(Br)c(-c2cc(C)ccc2C)n1C
InChIInChI=1S/C15H20BrN3/c1-10-5-6-11(2)12(9-10)14-15(16)18-13(19(14)4)7-8-17-3/h5-6,9,17H,7-8H2,1-4H3
InChIKeyBELFBIQFYNOYBU-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine

2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine (PubChem CID 84605029) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
PubChem CID84605029
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(Br)c(-c2cc(C)ccc2C)n1C
InChIInChI=1S/C15H20BrN3/c1-10-5-6-11(2)12(9-10)14-15(16)18-13(19(14)4)7-8-17-3/h5-6,9,17H,7-8H2,1-4H3
InChIKeyBELFBIQFYNOYBU-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84608558
N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
CID 84622679
2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
CID 84610828
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82295484
1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84608560
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84610824
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610127
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine (CID 84605029) is 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine is CNCCc1nc(Br)c(-c2cc(C)ccc2C)n1C.
What is the InChIKey of 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
The InChIKey is BELFBIQFYNOYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-5-6-11(2)12(9-10)14-15(16)18-13(19(14)4)7-8-17-3/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84605029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).