5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine

C16H25N3 — CID 79505143

IUPAC5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCC1CN=C(N)N1c1cccc(C)c1
InChIInChI=1S/C16H25N3/c1-3-4-5-6-9-15-12-18-16(17)19(15)14-10-7-8-13(2)11-14/h7-8,10-11,15H,3-6,9,12H2,1-2H3,(H2,17,18)
InChIKeyFZOFANDJVCEZQA-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.47
Rot. Bonds6

About 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine

5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505143) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505143
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCC1CN=C(N)N1c1cccc(C)c1
InChIInChI=1S/C16H25N3/c1-3-4-5-6-9-15-12-18-16(17)19(15)14-10-7-8-13(2)11-14/h7-8,10-11,15H,3-6,9,12H2,1-2H3,(H2,17,18)
InChIKeyFZOFANDJVCEZQA-UHFFFAOYSA-N
XLogP3.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine (CID 79505143) is 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine is CCCCCCC1CN=C(N)N1c1cccc(C)c1.
What is the InChIKey of 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FZOFANDJVCEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-4-5-6-9-15-12-18-16(17)19(15)14-10-7-8-13(2)11-14/h7-8,10-11,15H,3-6,9,12H2,1-2H3,(H2,17,18).
What are the key properties of 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine?
5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).