1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one

C20H21N3O2 — CID 24587457

IUPAC1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2c3ccccc3CC2C)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-3-21-17-10-6-7-11-18(17)22(20(21)25)13-19(24)23-14(2)12-15-8-4-5-9-16(15)23/h4-11,14H,3,12-13H2,1-2H3
InChIKeyQOFZIJUVJIUPEQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.80
Rot. Bonds3

About 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one

1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one (PubChem CID 24587457) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
PubChem CID24587457
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2c3ccccc3CC2C)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-3-21-17-10-6-7-11-18(17)22(20(21)25)13-19(24)23-14(2)12-15-8-4-5-9-16(15)23/h4-11,14H,3,12-13H2,1-2H3
InChIKeyQOFZIJUVJIUPEQ-UHFFFAOYSA-N
XLogP2.80
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinolin-2-one
CID 54724425
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3-benzyl-7-ethyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]purine-2,6-dione
CID 41037751
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3569474
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
CID 4055879
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115486453
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 51188925
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one (CID 24587457) is 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one is CCn1c(=O)n(CC(=O)N2c3ccccc3CC2C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
The InChIKey is QOFZIJUVJIUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-21-17-10-6-7-11-18(17)22(20(21)25)13-19(24)23-14(2)12-15-8-4-5-9-16(15)23/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one?
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 24587457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).