4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid

C14H25N3O6Si — CID 162369838

IUPAC4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESCCO[Si](CCCNC(=O)c1nc[nH]c1C(=O)O)(OCC)OCC
InChIInChI=1S/C14H25N3O6Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-15-13(18)11-12(14(19)20)17-10-16-11/h10H,4-9H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeySWQJSPKOTGWJEP-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.28
Rot. Bonds12

About 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid

4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 162369838) has the molecular formula C14H25N3O6Si and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID162369838
Molecular FormulaC14H25N3O6Si
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC Name4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESCCO[Si](CCCNC(=O)c1nc[nH]c1C(=O)O)(OCC)OCC
InChIInChI=1S/C14H25N3O6Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-15-13(18)11-12(14(19)20)17-10-16-11/h10H,4-9H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeySWQJSPKOTGWJEP-UHFFFAOYSA-N
XLogP1.28
TPSA122.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 162369838) is 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid is CCO[Si](CCCNC(=O)c1nc[nH]c1C(=O)O)(OCC)OCC.
What is the InChIKey of 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is SWQJSPKOTGWJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O6Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-15-13(18)11-12(14(19)20)17-10-16-11/h10H,4-9H2,1-3H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid?
4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 359.46 g/mol, XLogP of 1.28, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-triethoxysilylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 162369838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).