1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine

C14H18N4 — CID 53260727

IUPAC1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C14H18N4/c15-14-17-12-3-1-2-4-13(12)18(14)11-7-9-5-6-10(8-11)16-9/h1-4,9-11,16H,5-8H2,(H2,15,17)/t9-,10+,11?
InChIKeyFWTWJDUUJHHSBX-ZACCUICWSA-N
MW242.33 g/mol
LogP2.07
Rot. Bonds1

About 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine

1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine (PubChem CID 53260727) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
PubChem CID53260727
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C14H18N4/c15-14-17-12-3-1-2-4-13(12)18(14)11-7-9-5-6-10(8-11)16-9/h1-4,9-11,16H,5-8H2,(H2,15,17)/t9-,10+,11?
InChIKeyFWTWJDUUJHHSBX-ZACCUICWSA-N
XLogP2.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine?
The IUPAC name of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine (CID 53260727) is 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine?
The canonical SMILES for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine is Nc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine?
The InChIKey is FWTWJDUUJHHSBX-ZACCUICWSA-N. The full InChI is InChI=1S/C14H18N4/c15-14-17-12-3-1-2-4-13(12)18(14)11-7-9-5-6-10(8-11)16-9/h1-4,9-11,16H,5-8H2,(H2,15,17)/t9-,10+,11?.
What are the key properties of 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine?
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine is sourced from PubChem (CID 53260727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).