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

C12H14FIN4 — CID 66101969

IUPAC6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
SMILESCN1CCC(n2c(N)nc3cc(I)c(F)cc32)C1
InChIInChI=1S/C12H14FIN4/c1-17-3-2-7(6-17)18-11-4-8(13)9(14)5-10(11)16-12(18)15/h4-5,7H,2-3,6H2,1H3,(H2,15,16)
InChIKeyIDQWKLYABOLVLO-UHFFFAOYSA-N
MW360.17 g/mol
LogP2.24
Rot. Bonds1

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

6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine (PubChem CID 66101969) has the molecular formula C12H14FIN4 and a molecular weight of 360.17 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
PubChem CID66101969
Molecular FormulaC12H14FIN4
Molecular Weight360.17 g/mol
Exact Mass360.02
IUPAC Name6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
SMILESCN1CCC(n2c(N)nc3cc(I)c(F)cc32)C1
InChIInChI=1S/C12H14FIN4/c1-17-3-2-7(6-17)18-11-4-8(13)9(14)5-10(11)16-12(18)15/h4-5,7H,2-3,6H2,1H3,(H2,15,16)
InChIKeyIDQWKLYABOLVLO-UHFFFAOYSA-N
XLogP2.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101388
1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101762
1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101194
1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine
CID 55068116
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 103593490
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
CID 66102154
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine (CID 66101969) is 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine is CN1CCC(n2c(N)nc3cc(I)c(F)cc32)C1.
What is the InChIKey of 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine?
The InChIKey is IDQWKLYABOLVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN4/c1-17-3-2-7(6-17)18-11-4-8(13)9(14)5-10(11)16-12(18)15/h4-5,7H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine?
6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine has a molecular weight of 360.17 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 66101969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).