1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone

C18H17N5O2 — CID 2999274

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O2/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)11-25-16-7-4-6-15(10-16)22-12-19-20-21-22/h2-8,10,12-13H,9,11H2,1H3
InChIKeyCAENXYNQVKFZNM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone (PubChem CID 2999274) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
PubChem CID2999274
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O2/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)11-25-16-7-4-6-15(10-16)22-12-19-20-21-22/h2-8,10,12-13H,9,11H2,1H3
InChIKeyCAENXYNQVKFZNM-UHFFFAOYSA-N
XLogP2.02
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone (CID 2999274) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone is CC1Cc2ccccc2N1C(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
The InChIKey is CAENXYNQVKFZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)11-25-16-7-4-6-15(10-16)22-12-19-20-21-22/h2-8,10,12-13H,9,11H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone has a molecular weight of 335.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone is sourced from PubChem (CID 2999274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).