6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine

C15H12F2IN3 — CID 66099992

IUPAC6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCc1ccc(F)cc1
InChIInChI=1S/C15H12F2IN3/c16-10-3-1-9(2-4-10)5-6-21-14-7-11(17)12(18)8-13(14)20-15(21)19/h1-4,7-8H,5-6H2,(H2,19,20)
InChIKeyHEMPOASJOIYFRV-UHFFFAOYSA-N
MW399.18 g/mol
LogP3.74
Rot. Bonds3

About 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine

6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine (PubChem CID 66099992) has the molecular formula C15H12F2IN3 and a molecular weight of 399.18 g/mol. Its IUPAC name is 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
PubChem CID66099992
Molecular FormulaC15H12F2IN3
Molecular Weight399.18 g/mol
Exact Mass399.00
IUPAC Name6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCc1ccc(F)cc1
InChIInChI=1S/C15H12F2IN3/c16-10-3-1-9(2-4-10)5-6-21-14-7-11(17)12(18)8-13(14)20-15(21)19/h1-4,7-8H,5-6H2,(H2,19,20)
InChIKeyHEMPOASJOIYFRV-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.18
LogP ≤ 53.74
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

5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406214
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
1-[2-(3,5-difluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66082390
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine (CID 66099992) is 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1CCc1ccc(F)cc1.
What is the InChIKey of 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine?
The InChIKey is HEMPOASJOIYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2IN3/c16-10-3-1-9(2-4-10)5-6-21-14-7-11(17)12(18)8-13(14)20-15(21)19/h1-4,7-8H,5-6H2,(H2,19,20).
What are the key properties of 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine?
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine has a molecular weight of 399.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66099992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).