3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine

C12H12FN3 — CID 142474666

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2
InChIInChI=1S/C12H12FN3/c13-7-1-2-8-9(3-7)16-10(15-8)11-4-12(14,5-11)6-11/h1-3H,4-6,14H2,(H,15,16)
InChIKeyGYKYYLYHIYOEEO-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.83
Rot. Bonds1

About 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine

3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 142474666) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine
PubChem CID142474666
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2
InChIInChI=1S/C12H12FN3/c13-7-1-2-8-9(3-7)16-10(15-8)11-4-12(14,5-11)6-11/h1-3H,4-6,14H2,(H,15,16)
InChIKeyGYKYYLYHIYOEEO-UHFFFAOYSA-N
XLogP1.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine (CID 142474666) is 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine is NC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is GYKYYLYHIYOEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-7-1-2-8-9(3-7)16-10(15-8)11-4-12(14,5-11)6-11/h1-3H,4-6,14H2,(H,15,16).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 217.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 142474666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).