1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one

C13H16N2O2 — CID 79754349

IUPAC1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCCOCC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H16N2O2/c1-3-17-9-10(16)8-13-14-11-6-4-5-7-12(11)15(13)2/h4-7H,3,8-9H2,1-2H3
InChIKeyWGXMDTILUOCURX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.72
Rot. Bonds5

About 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one

1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one (PubChem CID 79754349) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
PubChem CID79754349
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
SMILESCCOCC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H16N2O2/c1-3-17-9-10(16)8-13-14-11-6-4-5-7-12(11)15(13)2/h4-7H,3,8-9H2,1-2H3
InChIKeyWGXMDTILUOCURX-UHFFFAOYSA-N
XLogP1.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-(4-bromophenyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79755509
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
CID 116591103
4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one (CID 79754349) is 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one is CCOCC(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one?
The InChIKey is WGXMDTILUOCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-17-9-10(16)8-13-14-11-6-4-5-7-12(11)15(13)2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one?
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 79754349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).