1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone

C15H19N3O2 — CID 116579710

IUPAC1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2(N)CCOC2)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-2-18-12-6-4-3-5-11(12)17-14(18)9-13(19)15(16)7-8-20-10-15/h3-6H,2,7-10,16H2,1H3
InChIKeyZCXLDZLWSXRWPL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds4

About 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone

1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 116579710) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID116579710
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2(N)CCOC2)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-2-18-12-6-4-3-5-11(12)17-14(18)9-13(19)15(16)7-8-20-10-15/h3-6H,2,7-10,16H2,1H3
InChIKeyZCXLDZLWSXRWPL-UHFFFAOYSA-N
XLogP1.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
1-(1-ethylbenzimidazol-2-yl)-3-methoxyhexan-2-one
CID 116708087
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 116579710) is 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)C2(N)CCOC2)nc2ccccc21.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is ZCXLDZLWSXRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-18-12-6-4-3-5-11(12)17-14(18)9-13(19)15(16)7-8-20-10-15/h3-6H,2,7-10,16H2,1H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 116579710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).