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

C18H29N5O3 — CID 26225706

IUPAC1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C18H29N5O3/c1-13(2)23-16(24)18(22(17(23)25)9-10-26-4)5-7-21(8-6-18)11-15-14(3)19-12-20-15/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyAIYZCNGZYWJTTQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.37
Rot. Bonds6

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

1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26225706) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26225706
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C18H29N5O3/c1-13(2)23-16(24)18(22(17(23)25)9-10-26-4)5-7-21(8-6-18)11-15-14(3)19-12-20-15/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyAIYZCNGZYWJTTQ-UHFFFAOYSA-N
XLogP1.37
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.37
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

8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134314
1-benzyl-3-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133974
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26135023
8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133469
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine
CID 95861049
1-(2-methoxyethyl)-3-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227051
2-ethyl-1-[9-[(5-methyl-1H-imidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]butan-1-one
CID 56891421
1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213967
1-(2-methoxyethyl)-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141284
1-(3-methylbutyl)-8-(2-phenylethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221742
8-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137235

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26225706) is 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1nc[nH]c1C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AIYZCNGZYWJTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13(2)23-16(24)18(22(17(23)25)9-10-26-4)5-7-21(8-6-18)11-15-14(3)19-12-20-15/h12-13H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26225706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).