ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone

C21H33N3O2 — CID 145172083

IUPACethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
SMILESCC.CC.CN1C=CN(C(=O)N2CC3(CCOCC3)c3ccccc32)C1
InChIInChI=1S/C17H21N3O2.2C2H6/c1-18-8-9-19(13-18)16(21)20-12-17(6-10-22-11-7-17)14-4-2-3-5-15(14)20;2*1-2/h2-5,8-9H,6-7,10-13H2,1H3;2*1-2H3
InChIKeyMOQMRPMBCKEIAZ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.40
Rot. Bonds

About ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone

ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone (PubChem CID 145172083) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone.

Molecular Properties

Compound Nameethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
PubChem CID145172083
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Nameethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
SMILESCC.CC.CN1C=CN(C(=O)N2CC3(CCOCC3)c3ccccc32)C1
InChIInChI=1S/C17H21N3O2.2C2H6/c1-18-8-9-19(13-18)16(21)20-12-17(6-10-22-11-7-17)14-4-2-3-5-15(14)20;2*1-2/h2-5,8-9H,6-7,10-13H2,1H3;2*1-2H3
InChIKeyMOQMRPMBCKEIAZ-UHFFFAOYSA-N
XLogP4.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
The IUPAC name of ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone (CID 145172083) is ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone.
What is the SMILES notation for ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
The canonical SMILES for ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone is CC.CC.CN1C=CN(C(=O)N2CC3(CCOCC3)c3ccccc32)C1.
What is the InChIKey of ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
The InChIKey is MOQMRPMBCKEIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.2C2H6/c1-18-8-9-19(13-18)16(21)20-12-17(6-10-22-11-7-17)14-4-2-3-5-15(14)20;2*1-2/h2-5,8-9H,6-7,10-13H2,1H3;2*1-2H3.
What are the key properties of ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone?
ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone has a molecular weight of 359.51 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone is sourced from PubChem (CID 145172083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).