(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine

C13H15F2N3O — CID 175873657

IUPAC(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine
SMILESN[C@H](c1nc2ccccc2[nH]1)[C@@H]1CCC(F)(F)CO1
InChIInChI=1S/C13H15F2N3O/c14-13(15)6-5-10(19-7-13)11(16)12-17-8-3-1-2-4-9(8)18-12/h1-4,10-11H,5-7,16H2,(H,17,18)/t10-,11-/m0/s1
InChIKeyOJXFNHINGMXKEK-QWRGUYRKSA-N
MW267.28 g/mol
LogP2.38
Rot. Bonds2

About (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine

(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine (PubChem CID 175873657) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine.

Molecular Properties

Compound Name(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine
PubChem CID175873657
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine
SMILESN[C@H](c1nc2ccccc2[nH]1)[C@@H]1CCC(F)(F)CO1
InChIInChI=1S/C13H15F2N3O/c14-13(15)6-5-10(19-7-13)11(16)12-17-8-3-1-2-4-9(8)18-12/h1-4,10-11H,5-7,16H2,(H,17,18)/t10-,11-/m0/s1
InChIKeyOJXFNHINGMXKEK-QWRGUYRKSA-N
XLogP2.38
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
CID 69063940
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 7068341
2-[(2R)-1-[(2R)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 908483
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836434
2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976004
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250

Frequently Asked Questions

What is the IUPAC name of (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine?
The IUPAC name of (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine (CID 175873657) is (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine.
What is the SMILES notation for (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine?
The canonical SMILES for (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine is N[C@H](c1nc2ccccc2[nH]1)[C@@H]1CCC(F)(F)CO1.
What is the InChIKey of (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine?
The InChIKey is OJXFNHINGMXKEK-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-13(15)6-5-10(19-7-13)11(16)12-17-8-3-1-2-4-9(8)18-12/h1-4,10-11H,5-7,16H2,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine?
(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine is sourced from PubChem (CID 175873657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).