1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine

C14H18BrN3 — CID 106562851

IUPAC1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
SMILESCCCCNc1nccn1-c1cc(Br)ccc1C
InChIInChI=1S/C14H18BrN3/c1-3-4-7-16-14-17-8-9-18(14)13-10-12(15)6-5-11(13)2/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyLTPNDMJKLVEDQV-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.16
Rot. Bonds5

About 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine

1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine (PubChem CID 106562851) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
PubChem CID106562851
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
SMILESCCCCNc1nccn1-c1cc(Br)ccc1C
InChIInChI=1S/C14H18BrN3/c1-3-4-7-16-14-17-8-9-18(14)13-10-12(15)6-5-11(13)2/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyLTPNDMJKLVEDQV-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
CID 107590771
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine
CID 106556388
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
1-(2,5-dimethylphenyl)-N-methylimidazol-2-amine
CID 106558210
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine (CID 106562851) is 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine is CCCCNc1nccn1-c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine?
The InChIKey is LTPNDMJKLVEDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-4-7-16-14-17-8-9-18(14)13-10-12(15)6-5-11(13)2/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine?
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine has a molecular weight of 308.22 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine is sourced from PubChem (CID 106562851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).