1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine

C15H20BrN3O — CID 84611682

IUPAC1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C)c(OC)c(C)c2)c(Br)n1C
InChIInChI=1S/C15H20BrN3O/c1-9-6-11(7-10(2)14(9)20-5)13-15(16)19(4)12(18-13)8-17-3/h6-7,17H,8H2,1-5H3
InChIKeyITGMLVZBTLNHMS-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.19
Rot. Bonds4

About 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine

1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine (PubChem CID 84611682) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
PubChem CID84611682
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C)c(OC)c(C)c2)c(Br)n1C
InChIInChI=1S/C15H20BrN3O/c1-9-6-11(7-10(2)14(9)20-5)13-15(16)19(4)12(18-13)8-17-3/h6-7,17H,8H2,1-5H3
InChIKeyITGMLVZBTLNHMS-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine (CID 84611682) is 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2cc(C)c(OC)c(C)c2)c(Br)n1C.
What is the InChIKey of 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The InChIKey is ITGMLVZBTLNHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9-6-11(7-10(2)14(9)20-5)13-15(16)19(4)12(18-13)8-17-3/h6-7,17H,8H2,1-5H3.
What are the key properties of 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84611682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).