1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C10H11Br2N3S — CID 80538939

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1nccn1C
InChIInChI=1S/C10H11Br2N3S/c1-13-8(10-14-3-4-15(10)2)7-5-6(11)9(12)16-7/h3-5,8,13H,1-2H3
InChIKeyRIGJLBPQYMTVDI-UHFFFAOYSA-N
MW365.09 g/mol
LogP3.32
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 80538939) has the molecular formula C10H11Br2N3S and a molecular weight of 365.09 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID80538939
Molecular FormulaC10H11Br2N3S
Molecular Weight365.09 g/mol
Exact Mass362.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1nccn1C
InChIInChI=1S/C10H11Br2N3S/c1-13-8(10-14-3-4-15(10)2)7-5-6(11)9(12)16-7/h3-5,8,13H,1-2H3
InChIKeyRIGJLBPQYMTVDI-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114659289
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854900
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 61315934
(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol
CID 102829554
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61314637
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-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149645

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 80538939) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1cc(Br)c(Br)s1)c1nccn1C.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is RIGJLBPQYMTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3S/c1-13-8(10-14-3-4-15(10)2)7-5-6(11)9(12)16-7/h3-5,8,13H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 365.09 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 80538939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).