4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine

C8H14BrN3 — CID 117189643

IUPAC4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1cc(Br)nc1N(C)C
InChIInChI=1S/C8H14BrN3/c1-6(2)12-5-7(9)10-8(12)11(3)4/h5-6H,1-4H3
InChIKeyPSBXGAZXDPNDML-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.29
Rot. Bonds2

About 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine

4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine (PubChem CID 117189643) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine
PubChem CID117189643
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1cc(Br)nc1N(C)C
InChIInChI=1S/C8H14BrN3/c1-6(2)12-5-7(9)10-8(12)11(3)4/h5-6H,1-4H3
InChIKeyPSBXGAZXDPNDML-UHFFFAOYSA-N
XLogP2.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine (CID 117189643) is 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine is CC(C)n1cc(Br)nc1N(C)C.
What is the InChIKey of 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is PSBXGAZXDPNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-6(2)12-5-7(9)10-8(12)11(3)4/h5-6H,1-4H3.
What are the key properties of 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine?
4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 232.12 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 117189643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).