6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine

C12H15FIN3 — CID 66102345

IUPAC6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
SMILESCC(C)CCn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H15FIN3/c1-7(2)3-4-17-11-5-8(13)9(14)6-10(11)16-12(17)15/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyFLBGVWIAEASQLT-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.41
Rot. Bonds3

About 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine

6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine (PubChem CID 66102345) has the molecular formula C12H15FIN3 and a molecular weight of 347.18 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
PubChem CID66102345
Molecular FormulaC12H15FIN3
Molecular Weight347.18 g/mol
Exact Mass347.03
IUPAC Name6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
SMILESCC(C)CCn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H15FIN3/c1-7(2)3-4-17-11-5-8(13)9(14)6-10(11)16-12(17)15/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyFLBGVWIAEASQLT-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-5-iodo-1-(3-methylbutyl)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

Related Compounds

6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
CID 106239994
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
CID 66102154
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100812
1-(3,3-dimethylbutan-2-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 104829013
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine (CID 66102345) is 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine is CC(C)CCn1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine?
The InChIKey is FLBGVWIAEASQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FIN3/c1-7(2)3-4-17-11-5-8(13)9(14)6-10(11)16-12(17)15/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine?
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine has a molecular weight of 347.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine is sourced from PubChem (CID 66102345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).