1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one

C16H20N2O2 — CID 79753354

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
SMILESCCn1c(CC(=O)CC2CCCO2)nc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-15-8-4-3-7-14(15)17-16(18)11-12(19)10-13-6-5-9-20-13/h3-4,7-8,13H,2,5-6,9-11H2,1H3
InChIKeyQVGQTXDNSTZEAU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.74
Rot. Bonds5

About 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one

1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one (PubChem CID 79753354) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
PubChem CID79753354
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
SMILESCCn1c(CC(=O)CC2CCCO2)nc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-15-8-4-3-7-14(15)17-16(18)11-12(19)10-13-6-5-9-20-13/h3-4,7-8,13H,2,5-6,9-11H2,1H3
InChIKeyQVGQTXDNSTZEAU-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116580009
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one (CID 79753354) is 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one is CCn1c(CC(=O)CC2CCCO2)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one?
The InChIKey is QVGQTXDNSTZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-15-8-4-3-7-14(15)17-16(18)11-12(19)10-13-6-5-9-20-13/h3-4,7-8,13H,2,5-6,9-11H2,1H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one?
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 79753354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).