2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide

C16H21N3O2 — CID 115588669

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NC1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-2-15-18-13-5-3-4-6-14(13)19(15)11-16(20)17-12-7-9-21-10-8-12/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChIKeyBWHARJKEAYAQPF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide

2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 115588669) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID115588669
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NC1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-2-15-18-13-5-3-4-6-14(13)19(15)11-16(20)17-12-7-9-21-10-8-12/h3-6,12H,2,7-11H2,1H3,(H,17,20)
InChIKeyBWHARJKEAYAQPF-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55428267
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
3-(2-ethylbenzimidazol-1-yl)-N-(4-methoxycyclohexyl)propanamide
CID 90647636
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide (CID 115588669) is 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide is CCc1nc2ccccc2n1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is BWHARJKEAYAQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-15-18-13-5-3-4-6-14(13)19(15)11-16(20)17-12-7-9-21-10-8-12/h3-6,12H,2,7-11H2,1H3,(H,17,20).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 115588669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).