5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine

C17H27N3O — CID 79501592

IUPAC5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCC1CN=C(N)N1c1cccc(OC)c1
InChIInChI=1S/C17H27N3O/c1-3-4-5-6-7-9-15-13-19-17(18)20(15)14-10-8-11-16(12-14)21-2/h8,10-12,15H,3-7,9,13H2,1-2H3,(H2,18,19)
InChIKeyOTHLSAPMTQMVLE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds8

About 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine

5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79501592) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79501592
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCC1CN=C(N)N1c1cccc(OC)c1
InChIInChI=1S/C17H27N3O/c1-3-4-5-6-7-9-15-13-19-17(18)20(15)14-10-8-11-16(12-14)21-2/h8,10-12,15H,3-7,9,13H2,1-2H3,(H2,18,19)
InChIKeyOTHLSAPMTQMVLE-UHFFFAOYSA-N
XLogP3.56
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
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 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79501592) is 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is CCCCCCCC1CN=C(N)N1c1cccc(OC)c1.
What is the InChIKey of 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is OTHLSAPMTQMVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-5-6-7-9-15-13-19-17(18)20(15)14-10-8-11-16(12-14)21-2/h8,10-12,15H,3-7,9,13H2,1-2H3,(H2,18,19).
What are the key properties of 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine?
5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79501592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).