2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide

C16H21N3O3 — CID 94824376

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
SMILESCCc1nc2ccccc2n1CC(=O)NO[C@@H]1CCCCO1
InChIInChI=1S/C16H21N3O3/c1-2-14-17-12-7-3-4-8-13(12)19(14)11-15(20)18-22-16-9-5-6-10-21-16/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyICCJCUNLMDHBRR-MRXNPFEDSA-N
MW303.36 g/mol
LogP2.17
Rot. Bonds5

About 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide

2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide (PubChem CID 94824376) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
PubChem CID94824376
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
SMILESCCc1nc2ccccc2n1CC(=O)NO[C@@H]1CCCCO1
InChIInChI=1S/C16H21N3O3/c1-2-14-17-12-7-3-4-8-13(12)19(14)11-15(20)18-22-16-9-5-6-10-21-16/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyICCJCUNLMDHBRR-MRXNPFEDSA-N
XLogP2.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30263426
methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 63106914
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(cyclohexylmethyl)-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 55563675
3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 91835857
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide (CID 94824376) is 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide is CCc1nc2ccccc2n1CC(=O)NO[C@@H]1CCCCO1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide?
The InChIKey is ICCJCUNLMDHBRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-14-17-12-7-3-4-8-13(12)19(14)11-15(20)18-22-16-9-5-6-10-21-16/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide has a molecular weight of 303.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide is sourced from PubChem (CID 94824376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).