1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone

C19H17N3OS — CID 866669

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nccn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C19H17N3OS/c23-18(22-12-10-15-6-4-5-9-17(15)22)14-24-19-20-11-13-21(19)16-7-2-1-3-8-16/h1-9,11,13H,10,12,14H2
InChIKeyGBWFXWGADJDCLM-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (PubChem CID 866669) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
PubChem CID866669
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nccn1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C19H17N3OS/c23-18(22-12-10-15-6-4-5-9-17(15)22)14-24-19-20-11-13-21(19)16-7-2-1-3-8-16/h1-9,11,13H,10,12,14H2
InChIKeyGBWFXWGADJDCLM-UHFFFAOYSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (CID 866669) is 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is O=C(CSc1nccn1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The InChIKey is GBWFXWGADJDCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-18(22-12-10-15-6-4-5-9-17(15)22)14-24-19-20-11-13-21(19)16-7-2-1-3-8-16/h1-9,11,13H,10,12,14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone has a molecular weight of 335.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 866669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).