N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C15H17N3O3 — CID 138004226

IUPACN-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C15H17N3O3/c19-14(16-11-7-9-5-6-13(11)21-9)8-18-12-4-2-1-3-10(12)17-15(18)20/h1-4,9,11,13H,5-8H2,(H,16,19)(H,17,20)/t9-,11-,13+/m1/s1
InChIKeyKYMBCSNKSNBXIM-XWIASGKRSA-N
MW287.32 g/mol
LogP0.77
Rot. Bonds3

About N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 138004226) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID138004226
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C15H17N3O3/c19-14(16-11-7-9-5-6-13(11)21-9)8-18-12-4-2-1-3-10(12)17-15(18)20/h1-4,9,11,13H,5-8H2,(H,16,19)(H,17,20)/t9-,11-,13+/m1/s1
InChIKeyKYMBCSNKSNBXIM-XWIASGKRSA-N
XLogP0.77
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 120553598
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119453931
N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 70941559
2-methyl-2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545536
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
2-[1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217397
2-[4-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214905
N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 154801893
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119194768
(3S)-4-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119311

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 138004226) is N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1C[C@H]2CC[C@@H]1O2.
What is the InChIKey of N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is KYMBCSNKSNBXIM-XWIASGKRSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(16-11-7-9-5-6-13(11)21-9)8-18-12-4-2-1-3-10(12)17-15(18)20/h1-4,9,11,13H,5-8H2,(H,16,19)(H,17,20)/t9-,11-,13+/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 138004226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).