1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine

C15H19FN4 — CID 103592630

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C1CN2CCC1CC2
InChIInChI=1S/C15H19FN4/c1-9-6-13-12(7-11(9)16)18-15(17)20(13)14-8-19-4-2-10(14)3-5-19/h6-7,10,14H,2-5,8H2,1H3,(H2,17,18)
InChIKeyVIOQEPTZOWDFON-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.33
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592630) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592630
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C1CN2CCC1CC2
InChIInChI=1S/C15H19FN4/c1-9-6-13-12(7-11(9)16)18-15(17)20(13)14-8-19-4-2-10(14)3-5-19/h6-7,10,14H,2-5,8H2,1H3,(H2,17,18)
InChIKeyVIOQEPTZOWDFON-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromobenzimidazol-2-amine
CID 65347451
5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine
CID 103593149
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593055
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
CID 63598582
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 103592850
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66078877
1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101388

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592630) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is VIOQEPTZOWDFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-9-6-13-12(7-11(9)16)18-15(17)20(13)14-8-19-4-2-10(14)3-5-19/h6-7,10,14H,2-5,8H2,1H3,(H2,17,18).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 274.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).