8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H35N5O3 — CID 26134778

IUPAC8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCc1ncc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCOC)[nH]1
InChIInChI=1S/C21H35N5O3/c1-5-6-7-18-22-14-17(23-18)15-24-10-8-21(9-11-24)19(27)26(16(2)3)20(28)25(21)12-13-29-4/h14,16H,5-13,15H2,1-4H3,(H,22,23)
InChIKeyFTRIOCNPVFNVEW-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.41
Rot. Bonds9

About 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26134778) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26134778
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCc1ncc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCOC)[nH]1
InChIInChI=1S/C21H35N5O3/c1-5-6-7-18-22-14-17(23-18)15-24-10-8-21(9-11-24)19(27)26(16(2)3)20(28)25(21)12-13-29-4/h14,16H,5-13,15H2,1-4H3,(H,22,23)
InChIKeyFTRIOCNPVFNVEW-UHFFFAOYSA-N
XLogP2.41
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97396907
3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513681
2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95215943
1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
CID 130455643
9-[(2-butyl-1H-imidazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757707
1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
CID 71999805
(3S)-1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
CID 97572627
(3R)-1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
CID 97572628
(5S)-7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540340
(5R)-7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129540341
7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695118
[(2S,4R)-4-fluoro-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 131958854

Frequently Asked Questions

What is the IUPAC name of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26134778) is 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCc1ncc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCOC)[nH]1.
What is the InChIKey of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FTRIOCNPVFNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-5-6-7-18-22-14-17(23-18)15-24-10-8-21(9-11-24)19(27)26(16(2)3)20(28)25(21)12-13-29-4/h14,16H,5-13,15H2,1-4H3,(H,22,23).
What are the key properties of 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 405.54 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methoxyethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26134778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).