2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

C17H15N3O — CID 4171967

IUPAC2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O/c21-17(20-10-9-13-5-1-3-7-15(13)20)11-19-12-18-14-6-2-4-8-16(14)19/h1-8,12H,9-11H2
InChIKeyPVTBOIBGOJNWJJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.63
Rot. Bonds2

About 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 4171967) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID4171967
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O/c21-17(20-10-9-13-5-1-3-7-15(13)20)11-19-12-18-14-6-2-4-8-16(14)19/h1-8,12H,9-11H2
InChIKeyPVTBOIBGOJNWJJ-UHFFFAOYSA-N
XLogP2.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
1-[2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 55868759
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,3-dimethylpyrazolo[4,3-d]pyrimidin-7-one
CID 39890764
9-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 23770620
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-[6-[2-(benzimidazol-1-yl)acetyl]-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]-3-methylbutan-1-one
CID 110064507
1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
CID 20877555
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 4171967) is 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(Cn1cnc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PVTBOIBGOJNWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(20-10-9-13-5-1-3-7-15(13)20)11-19-12-18-14-6-2-4-8-16(14)19/h1-8,12H,9-11H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 277.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 4171967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).