1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone

C16H21N3O — CID 142138763

IUPAC1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1=CNC(C2Cc3ccccc3N2C(C)=O)N1C
InChIInChI=1S/C16H21N3O/c1-4-13-10-17-16(18(13)3)15-9-12-7-5-6-8-14(12)19(15)11(2)20/h5-8,10,15-17H,4,9H2,1-3H3
InChIKeyGUXKYAIEETXWLB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds2

About 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone

1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 142138763) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID142138763
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1=CNC(C2Cc3ccccc3N2C(C)=O)N1C
InChIInChI=1S/C16H21N3O/c1-4-13-10-17-16(18(13)3)15-9-12-7-5-6-8-14(12)19(15)11(2)20/h5-8,10,15-17H,4,9H2,1-3H3
InChIKeyGUXKYAIEETXWLB-UHFFFAOYSA-N
XLogP2.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 142138763) is 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone is CCC1=CNC(C2Cc3ccccc3N2C(C)=O)N1C.
What is the InChIKey of 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is GUXKYAIEETXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13-10-17-16(18(13)3)15-9-12-7-5-6-8-14(12)19(15)11(2)20/h5-8,10,15-17H,4,9H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 142138763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).