2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C17H16N4O — CID 51188925

IUPAC2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H16N4O/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-16-9-5-3-7-14(16)18-19-20/h2-9,12H,10-11H2,1H3
InChIKeyPGBAMQXNBQBSPI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.41
Rot. Bonds2

About 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 51188925) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID51188925
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H16N4O/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-16-9-5-3-7-14(16)18-19-20/h2-9,12H,10-11H2,1H3
InChIKeyPGBAMQXNBQBSPI-UHFFFAOYSA-N
XLogP2.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3569474
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7436500
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
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
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
CID 4055879
5-(methoxymethyl)-4-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
CID 166266633
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 51188925) is 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PGBAMQXNBQBSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-16-9-5-3-7-14(16)18-19-20/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 292.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 51188925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).