[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone

C19H26N4OS — CID 118666660

IUPAC[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)n3ccnc3)C2)CC1
InChIInChI=1S/C19H26N4OS/c1-21(2)19(16-4-3-13-25-16)7-5-18(6-8-19)9-11-22(14-18)17(24)23-12-10-20-15-23/h3-4,10,12-13,15H,5-9,11,14H2,1-2H3
InChIKeyCXTTVXYPXMRLQG-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.64
Rot. Bonds2

About [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone

[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone (PubChem CID 118666660) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone
PubChem CID118666660
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone
SMILESCN(C)C1(c2cccs2)CCC2(CCN(C(=O)n3ccnc3)C2)CC1
InChIInChI=1S/C19H26N4OS/c1-21(2)19(16-4-3-13-25-16)7-5-18(6-8-19)9-11-22(14-18)17(24)23-12-10-20-15-23/h3-4,10,12-13,15H,5-9,11,14H2,1-2H3
InChIKeyCXTTVXYPXMRLQG-UHFFFAOYSA-N
XLogP3.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone?
The IUPAC name of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone (CID 118666660) is [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone is CN(C)C1(c2cccs2)CCC2(CCN(C(=O)n3ccnc3)C2)CC1.
What is the InChIKey of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone?
The InChIKey is CXTTVXYPXMRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-21(2)19(16-4-3-13-25-16)7-5-18(6-8-19)9-11-22(14-18)17(24)23-12-10-20-15-23/h3-4,10,12-13,15H,5-9,11,14H2,1-2H3.
What are the key properties of [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone?
[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone has a molecular weight of 358.51 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 118666660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).