(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine

C7H12BrN3 — CID 117192918

IUPAC(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
SMILESCC(C)n1c(CN)cnc1Br
InChIInChI=1S/C7H12BrN3/c1-5(2)11-6(3-9)4-10-7(11)8/h4-5H,3,9H2,1-2H3
InChIKeyWLVXHRIXYLMCKZ-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.69
Rot. Bonds2

About (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine

(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine (PubChem CID 117192918) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
PubChem CID117192918
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
SMILESCC(C)n1c(CN)cnc1Br
InChIInChI=1S/C7H12BrN3/c1-5(2)11-6(3-9)4-10-7(11)8/h4-5H,3,9H2,1-2H3
InChIKeyWLVXHRIXYLMCKZ-UHFFFAOYSA-N
XLogP1.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine?
The IUPAC name of (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine (CID 117192918) is (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine.
What is the SMILES notation for (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine?
The canonical SMILES for (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine is CC(C)n1c(CN)cnc1Br.
What is the InChIKey of (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine?
The InChIKey is WLVXHRIXYLMCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-5(2)11-6(3-9)4-10-7(11)8/h4-5H,3,9H2,1-2H3.
What are the key properties of (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine?
(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine has a molecular weight of 218.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-propan-2-ylimidazol-4-yl)methanamine is sourced from PubChem (CID 117192918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).