1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine

C15H22BrN3 — CID 80560168

IUPAC1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine
SMILESCCCCCC1(C)CN=C(N)N1c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3/c1-3-4-5-10-15(2)11-18-14(17)19(15)13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,17,18)
InChIKeyZQKAHVRRXORIGF-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine

1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine (PubChem CID 80560168) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine
PubChem CID80560168
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine
SMILESCCCCCC1(C)CN=C(N)N1c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3/c1-3-4-5-10-15(2)11-18-14(17)19(15)13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,17,18)
InChIKeyZQKAHVRRXORIGF-UHFFFAOYSA-N
XLogP3.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.92
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 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine (CID 80560168) is 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine is CCCCCC1(C)CN=C(N)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine?
The InChIKey is ZQKAHVRRXORIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-3-4-5-10-15(2)11-18-14(17)19(15)13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,17,18).
What are the key properties of 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine?
1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine has a molecular weight of 324.27 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine is sourced from PubChem (CID 80560168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).