2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid

C19H29F3N4O4 — CID 155840062

IUPAC2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O2.C2HF3O2/c1-14-18-12-15(19-14)13-20-8-5-17(6-9-20)4-3-7-21(16(17)22)10-11-23-2;3-2(4,5)1(6)7/h12H,3-11,13H2,1-2H3,(H,18,19);(H,6,7)
InChIKeyCGTCUBRTWUWPBR-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid

2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 155840062) has the molecular formula C19H29F3N4O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid
PubChem CID155840062
Molecular FormulaC19H29F3N4O4
Molecular Weight434.46 g/mol
Exact Mass434.21
IUPAC Name2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N4O2.C2HF3O2/c1-14-18-12-15(19-14)13-20-8-5-17(6-9-20)4-3-7-21(16(17)22)10-11-23-2;3-2(4,5)1(6)7/h12H,3-11,13H2,1-2H3,(H,18,19);(H,6,7)
InChIKeyCGTCUBRTWUWPBR-UHFFFAOYSA-N
XLogP2.20
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid (CID 155840062) is 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid is COCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is CGTCUBRTWUWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.C2HF3O2/c1-14-18-12-15(19-14)13-20-8-5-17(6-9-20)4-3-7-21(16(17)22)10-11-23-2;3-2(4,5)1(6)7/h12H,3-11,13H2,1-2H3,(H,18,19);(H,6,7).
What are the key properties of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid?
2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 434.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).