5-bromo-1-(7-methyloctyl)benzimidazol-2-amine

C16H24BrN3 — CID 107816938

IUPAC5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
SMILESCC(C)CCCCCCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C16H24BrN3/c1-12(2)7-5-3-4-6-10-20-15-9-8-13(17)11-14(15)19-16(20)18/h8-9,11-12H,3-7,10H2,1-2H3,(H2,18,19)
InChIKeyLWUOKRYZOYHNDY-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.99
Rot. Bonds7

About 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine

5-bromo-1-(7-methyloctyl)benzimidazol-2-amine (PubChem CID 107816938) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
PubChem CID107816938
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
SMILESCC(C)CCCCCCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C16H24BrN3/c1-12(2)7-5-3-4-6-10-20-15-9-8-13(17)11-14(15)19-16(20)18/h8-9,11-12H,3-7,10H2,1-2H3,(H2,18,19)
InChIKeyLWUOKRYZOYHNDY-UHFFFAOYSA-N
XLogP4.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-1-(7-methyloctyl)benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine (CID 107816938) is 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine is CC(C)CCCCCCn1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine?
The InChIKey is LWUOKRYZOYHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-12(2)7-5-3-4-6-10-20-15-9-8-13(17)11-14(15)19-16(20)18/h8-9,11-12H,3-7,10H2,1-2H3,(H2,18,19).
What are the key properties of 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine?
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine has a molecular weight of 338.29 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(7-methyloctyl)benzimidazol-2-amine is sourced from PubChem (CID 107816938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).