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

C10H8F4IN3 — CID 66100609

IUPAC6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCC(F)(F)F
InChIInChI=1S/C10H8F4IN3/c11-5-3-8-7(4-6(5)15)17-9(16)18(8)2-1-10(12,13)14/h3-4H,1-2H2,(H2,16,17)
InChIKeyGPIPVTIVCOAFGK-UHFFFAOYSA-N
MW373.09 g/mol
LogP3.31
Rot. Bonds2

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

6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine (PubChem CID 66100609) has the molecular formula C10H8F4IN3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
PubChem CID66100609
Molecular FormulaC10H8F4IN3
Molecular Weight373.09 g/mol
Exact Mass372.97
IUPAC Name6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCC(F)(F)F
InChIInChI=1S/C10H8F4IN3/c11-5-3-8-7(4-6(5)15)17-9(16)18(8)2-1-10(12,13)14/h3-4H,1-2H2,(H2,16,17)
InChIKeyGPIPVTIVCOAFGK-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 53.31
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-(3,3,3-trifluoropropyl)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

2-(chloromethyl)-6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazole
CID 66094885
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
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-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406214
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100812
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine (CID 66100609) is 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1CCC(F)(F)F.
What is the InChIKey of 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine?
The InChIKey is GPIPVTIVCOAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4IN3/c11-5-3-8-7(4-6(5)15)17-9(16)18(8)2-1-10(12,13)14/h3-4H,1-2H2,(H2,16,17).
What are the key properties of 6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine?
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine has a molecular weight of 373.09 g/mol, XLogP of 3.31, 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-(3,3,3-trifluoropropyl)benzimidazol-2-amine is sourced from PubChem (CID 66100609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).