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

C14H17Br2N3O — CID 106568745

IUPAC1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1-c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2N3O/c1-10-9-19(13-5-4-11(15)8-12(13)16)14(18-10)17-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyWDIVJYCLGCUFSD-UHFFFAOYSA-N
MW403.12 g/mol
LogP4.15
Rot. Bonds6

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

1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106568745) has the molecular formula C14H17Br2N3O and a molecular weight of 403.12 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106568745
Molecular FormulaC14H17Br2N3O
Molecular Weight403.12 g/mol
Exact Mass400.97
IUPAC Name1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1-c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2N3O/c1-10-9-19(13-5-4-11(15)8-12(13)16)14(18-10)17-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyWDIVJYCLGCUFSD-UHFFFAOYSA-N
XLogP4.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 54.15
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-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106568745) is 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1-c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is WDIVJYCLGCUFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O/c1-10-9-19(13-5-4-11(15)8-12(13)16)14(18-10)17-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 403.12 g/mol, XLogP of 4.15, 6 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-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106568745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).