1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine

C13H7F3IN3 — CID 66100981

IUPAC1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3IN3/c14-7-2-1-6(3-8(7)15)20-12-4-9(16)10(17)5-11(12)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyALGODYMWWHCUOE-UHFFFAOYSA-N
MW389.12 g/mol
LogP3.63
Rot. Bonds1

About 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66100981) has the molecular formula C13H7F3IN3 and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66100981
Molecular FormulaC13H7F3IN3
Molecular Weight389.12 g/mol
Exact Mass388.96
IUPAC Name1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3IN3/c14-7-2-1-6(3-8(7)15)20-12-4-9(16)10(17)5-11(12)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyALGODYMWWHCUOE-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66099411
1-(1-benzothiophen-5-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101395
1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 43661787
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
1-(4-bromo-2,3-dichlorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107791621
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 81287131
5-(2-amino-5-iodobenzimidazol-1-yl)-2-fluorobenzonitrile
CID 66081402
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79289903

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 66100981) is 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is ALGODYMWWHCUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3IN3/c14-7-2-1-6(3-8(7)15)20-12-4-9(16)10(17)5-11(12)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 389.12 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66100981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).