1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine

C15H20BrN3 — CID 106555636

IUPAC1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1ccc(C)cc1Br
InChIInChI=1S/C15H20BrN3/c1-4-5-8-17-15-18-12(3)10-19(15)14-7-6-11(2)9-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyQCRXOUGNKNWAHU-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.46
Rot. Bonds5

About 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine

1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine (PubChem CID 106555636) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
PubChem CID106555636
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1ccc(C)cc1Br
InChIInChI=1S/C15H20BrN3/c1-4-5-8-17-15-18-12(3)10-19(15)14-7-6-11(2)9-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyQCRXOUGNKNWAHU-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.46
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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Related Compounds

N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106568715
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106568745
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106555622
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106580659
1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583526
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine (CID 106555636) is 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1-c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine?
The InChIKey is QCRXOUGNKNWAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-5-8-17-15-18-12(3)10-19(15)14-7-6-11(2)9-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine?
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106555636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).