1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine

C6H10BrN3 — CID 83881750

IUPAC1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1ncc(Br)n1C
InChIInChI=1S/C6H10BrN3/c1-8-4-6-9-3-5(7)10(6)2/h3,8H,4H2,1-2H3
InChIKeyVNGFCCGIPIIKHF-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.90
Rot. Bonds2

About 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine

1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine (PubChem CID 83881750) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine
PubChem CID83881750
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1ncc(Br)n1C
InChIInChI=1S/C6H10BrN3/c1-8-4-6-9-3-5(7)10(6)2/h3,8H,4H2,1-2H3
InChIKeyVNGFCCGIPIIKHF-UHFFFAOYSA-N
XLogP0.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine (CID 83881750) is 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine is CNCc1ncc(Br)n1C.
What is the InChIKey of 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine?
The InChIKey is VNGFCCGIPIIKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-8-4-6-9-3-5(7)10(6)2/h3,8H,4H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine?
1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine has a molecular weight of 204.07 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83881750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).