1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

C15H19Br2N3O — CID 106568715

IUPAC1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1-c1ccc(Br)cc1Br
InChIInChI=1S/C15H19Br2N3O/c1-3-21-8-4-7-18-15-19-11(2)10-20(15)14-6-5-12(16)9-13(14)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyDCBQKEQQFJHSJC-UHFFFAOYSA-N
MW417.15 g/mol
LogP4.54
Rot. Bonds7

About 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106568715) has the molecular formula C15H19Br2N3O and a molecular weight of 417.15 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106568715
Molecular FormulaC15H19Br2N3O
Molecular Weight417.15 g/mol
Exact Mass414.99
IUPAC Name1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1-c1ccc(Br)cc1Br
InChIInChI=1S/C15H19Br2N3O/c1-3-21-8-4-7-18-15-19-11(2)10-20(15)14-6-5-12(16)9-13(14)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyDCBQKEQQFJHSJC-UHFFFAOYSA-N
XLogP4.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.15
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106568715) is 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1-c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is DCBQKEQQFJHSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3O/c1-3-21-8-4-7-18-15-19-11(2)10-20(15)14-6-5-12(16)9-13(14)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 417.15 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106568715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).