4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine

C16H21FN4 — CID 65472995

IUPAC4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
SMILESCN1C2CCCC1CC(n1c(N)nc3c(F)cccc31)C2
InChIInChI=1S/C16H21FN4/c1-20-10-4-2-5-11(20)9-12(8-10)21-14-7-3-6-13(17)15(14)19-16(21)18/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H2,18,19)
InChIKeyZZVRFGNVPUYPDO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.95
Rot. Bonds1

About 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine

4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine (PubChem CID 65472995) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
PubChem CID65472995
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
SMILESCN1C2CCCC1CC(n1c(N)nc3c(F)cccc31)C2
InChIInChI=1S/C16H21FN4/c1-20-10-4-2-5-11(20)9-12(8-10)21-14-7-3-6-13(17)15(14)19-16(21)18/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H2,18,19)
InChIKeyZZVRFGNVPUYPDO-UHFFFAOYSA-N
XLogP2.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
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2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
CID 62359258
2-bromo-1-cyclobutyl-4-fluorobenzimidazole
CID 84808519
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazol-2-amine
CID 83018093
2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole
CID 54920356
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
1-cyclobutyl-7-fluorobenzimidazol-2-amine
CID 84778426
4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
CID 104683343
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine (CID 65472995) is 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine is CN1C2CCCC1CC(n1c(N)nc3c(F)cccc31)C2.
What is the InChIKey of 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine?
The InChIKey is ZZVRFGNVPUYPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-20-10-4-2-5-11(20)9-12(8-10)21-14-7-3-6-13(17)15(14)19-16(21)18/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H2,18,19).
What are the key properties of 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine?
4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 65472995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).