1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione

C18H30N4O6S — CID 159929213

IUPAC1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESCOCCOCc1ncc(C(C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)[nH]1
InChIInChI=1S/C18H30N4O6S/c1-14(15-10-19-16(20-15)12-28-8-7-27-2)13-29(25,26)9-5-3-4-6-22-11-17(23)21-18(22)24/h10,14H,3-9,11-13H2,1-2H3,(H,19,20)(H,21,23,24)
InChIKeyNZKOPRHLRJCOBJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.81
Rot. Bonds14

About 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione

1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione (PubChem CID 159929213) has the molecular formula C18H30N4O6S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
PubChem CID159929213
Molecular FormulaC18H30N4O6S
Molecular Weight430.53 g/mol
Exact Mass430.19
IUPAC Name1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESCOCCOCc1ncc(C(C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)[nH]1
InChIInChI=1S/C18H30N4O6S/c1-14(15-10-19-16(20-15)12-28-8-7-27-2)13-29(25,26)9-5-3-4-6-22-11-17(23)21-18(22)24/h10,14H,3-9,11-13H2,1-2H3,(H,19,20)(H,21,23,24)
InChIKeyNZKOPRHLRJCOBJ-UHFFFAOYSA-N
XLogP0.81
TPSA130.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione (CID 159929213) is 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione is COCCOCc1ncc(C(C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)[nH]1.
What is the InChIKey of 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The InChIKey is NZKOPRHLRJCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O6S/c1-14(15-10-19-16(20-15)12-28-8-7-27-2)13-29(25,26)9-5-3-4-6-22-11-17(23)21-18(22)24/h10,14H,3-9,11-13H2,1-2H3,(H,19,20)(H,21,23,24).
What are the key properties of 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 430.53 g/mol, XLogP of 0.81, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159929213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).