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

C12H15FIN3 — CID 66102154

IUPAC6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
SMILESCC(C)C(C)n1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H15FIN3/c1-6(2)7(3)17-11-4-8(13)9(14)5-10(11)16-12(17)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyOWCPHELXGZWCSS-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.58
Rot. Bonds2

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

6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine (PubChem CID 66102154) has the molecular formula C12H15FIN3 and a molecular weight of 347.18 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
PubChem CID66102154
Molecular FormulaC12H15FIN3
Molecular Weight347.18 g/mol
Exact Mass347.03
IUPAC Name6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
SMILESCC(C)C(C)n1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H15FIN3/c1-6(2)7(3)17-11-4-8(13)9(14)5-10(11)16-12(17)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyOWCPHELXGZWCSS-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.58
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-methylbutan-2-yl)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

1-(3,3-dimethylbutan-2-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 104829013
6-fluoro-5-iodo-1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 66101202
2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide
CID 66102164
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 113488932
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
2-(chloromethyl)-6-fluoro-5-iodo-1-(2-methylpentan-3-yl)benzimidazole
CID 66094669
6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108848
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100981

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine (CID 66102154) is 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine is CC(C)C(C)n1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is OWCPHELXGZWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FIN3/c1-6(2)7(3)17-11-4-8(13)9(14)5-10(11)16-12(17)15/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine?
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 347.18 g/mol, XLogP of 3.58, 2 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-methylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 66102154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).