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

C15H19FIN3 — CID 66101762

IUPAC1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(I)c(F)cc32)C1C
InChIInChI=1S/C15H19FIN3/c1-8-4-3-5-13(9(8)2)20-14-6-10(16)11(17)7-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19)
InChIKeyYYERSGLPHCTBIC-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.36
Rot. Bonds1

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

1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66101762) has the molecular formula C15H19FIN3 and a molecular weight of 387.24 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66101762
Molecular FormulaC15H19FIN3
Molecular Weight387.24 g/mol
Exact Mass387.06
IUPAC Name1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(I)c(F)cc32)C1C
InChIInChI=1S/C15H19FIN3/c1-8-4-3-5-13(9(8)2)20-14-6-10(16)11(17)7-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19)
InChIKeyYYERSGLPHCTBIC-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.36
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-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101388
5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66078877
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 43661615
1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101194
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576
6-fluoro-5-iodo-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66101969
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100812
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 66101762) is 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine is CC1CCCC(n2c(N)nc3cc(I)c(F)cc32)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is YYERSGLPHCTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FIN3/c1-8-4-3-5-13(9(8)2)20-14-6-10(16)11(17)7-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 387.24 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66101762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).