1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine

C13H15Br2N3O — CID 106566399

IUPAC1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1-c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2N3O/c1-19-8-2-5-16-13-17-6-7-18(13)12-9-10(14)3-4-11(12)15/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)
InChIKeyVDHKSBYHLKMZQO-UHFFFAOYSA-N
MW389.09 g/mol
LogP3.85
Rot. Bonds6

About 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine

1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106566399) has the molecular formula C13H15Br2N3O and a molecular weight of 389.09 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106566399
Molecular FormulaC13H15Br2N3O
Molecular Weight389.09 g/mol
Exact Mass386.96
IUPAC Name1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1-c1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2N3O/c1-19-8-2-5-16-13-17-6-7-18(13)12-9-10(14)3-4-11(12)15/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)
InChIKeyVDHKSBYHLKMZQO-UHFFFAOYSA-N
XLogP3.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 53.85
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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Related Compounds

1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106582958
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
CID 106566372
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686
1-(2,5-dibromophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106566380
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106568745
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine (CID 106566399) is 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1-c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is VDHKSBYHLKMZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O/c1-19-8-2-5-16-13-17-6-7-18(13)12-9-10(14)3-4-11(12)15/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17).
What are the key properties of 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 389.09 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106566399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).