1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C12H13Br2N3 — CID 107945877

IUPAC1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1Br)c1nccn1C
InChIInChI=1S/C12H13Br2N3/c1-15-11(12-16-5-6-17(12)2)9-4-3-8(13)7-10(9)14/h3-7,11,15H,1-2H3
InChIKeyVTVGEUPCYASSCW-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 107945877) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID107945877
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1Br)c1nccn1C
InChIInChI=1S/C12H13Br2N3/c1-15-11(12-16-5-6-17(12)2)9-4-3-8(13)7-10(9)14/h3-7,11,15H,1-2H3
InChIKeyVTVGEUPCYASSCW-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 63976228
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 106857664
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 80538939
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114659289
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 107945877) is 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1ccc(Br)cc1Br)c1nccn1C.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is VTVGEUPCYASSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-15-11(12-16-5-6-17(12)2)9-4-3-8(13)7-10(9)14/h3-7,11,15H,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 359.07 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 107945877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).