2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide

C13H15N3O2 — CID 39730241

IUPAC2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c([C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C13H15N3O2/c14-12(17)8-16-10-5-2-1-4-9(10)15-13(16)11-6-3-7-18-11/h1-2,4-5,11H,3,6-8H2,(H2,14,17)/t11-/m1/s1
InChIKeyWVJSXIHGQAXSID-LLVKDONJSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds3

About 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide

2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide (PubChem CID 39730241) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
PubChem CID39730241
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c([C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C13H15N3O2/c14-12(17)8-16-10-5-2-1-4-9(10)15-13(16)11-6-3-7-18-11/h1-2,4-5,11H,3,6-8H2,(H2,14,17)/t11-/m1/s1
InChIKeyWVJSXIHGQAXSID-LLVKDONJSA-N
XLogP1.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251
1-[4-(4-methylphenoxy)butyl]-2-(oxolan-2-yl)benzimidazole
CID 17000130
1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960724
2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40692544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide (CID 39730241) is 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide is NC(=O)Cn1c([C@H]2CCCO2)nc2ccccc21.
What is the InChIKey of 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide?
The InChIKey is WVJSXIHGQAXSID-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-12(17)8-16-10-5-2-1-4-9(10)15-13(16)11-6-3-7-18-11/h1-2,4-5,11H,3,6-8H2,(H2,14,17)/t11-/m1/s1.
What are the key properties of 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide?
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 39730241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).