3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C16H21N5O — CID 68635284

IUPAC3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESNC1OC2(CN3CCC2CC3)CN1c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N5O/c17-14-21(15-18-12-3-1-2-4-13(12)19-15)10-16(22-14)9-20-7-5-11(16)6-8-20/h1-4,11,14H,5-10,17H2,(H,18,19)
InChIKeyDBBVVIKIVCBWGD-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.11
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 68635284) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID68635284
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESNC1OC2(CN3CCC2CC3)CN1c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N5O/c17-14-21(15-18-12-3-1-2-4-13(12)19-15)10-16(22-14)9-20-7-5-11(16)6-8-20/h1-4,11,14H,5-10,17H2,(H,18,19)
InChIKeyDBBVVIKIVCBWGD-UHFFFAOYSA-N
XLogP1.11
TPSA70.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540
3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724782
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 167852560
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
(2S,6S)-4-(1H-benzimidazol-2-yl)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124887240
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 68635284) is 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is NC1OC2(CN3CCC2CC3)CN1c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is DBBVVIKIVCBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-14-21(15-18-12-3-1-2-4-13(12)19-15)10-16(22-14)9-20-7-5-11(16)6-8-20/h1-4,11,14H,5-10,17H2,(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 68635284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).