7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide

C26H37N3O4Si — CID 69135076

IUPAC7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
SMILESCc1nc2c(O)c(CC(O)Cc3ccccc3)c(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C26H37N3O4Si/c1-18-27-24-23(29(18)17-33-12-13-34(4,5)6)16-22(26(32)28(2)3)21(25(24)31)15-20(30)14-19-10-8-7-9-11-19/h7-11,16,20,30-31H,12-15,17H2,1-6H3
InChIKeyOVRGTEQWTNBLFT-UHFFFAOYSA-N
MW483.69 g/mol
LogP4.21
Rot. Bonds10

About 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide

7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide (PubChem CID 69135076) has the molecular formula C26H37N3O4Si and a molecular weight of 483.69 g/mol. Its IUPAC name is 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
PubChem CID69135076
Molecular FormulaC26H37N3O4Si
Molecular Weight483.69 g/mol
Exact Mass483.26
IUPAC Name7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
SMILESCc1nc2c(O)c(CC(O)Cc3ccccc3)c(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C26H37N3O4Si/c1-18-27-24-23(29(18)17-33-12-13-34(4,5)6)16-22(26(32)28(2)3)21(25(24)31)15-20(30)14-19-10-8-7-9-11-19/h7-11,16,20,30-31H,12-15,17H2,1-6H3
InChIKeyOVRGTEQWTNBLFT-UHFFFAOYSA-N
XLogP4.21
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.69
LogP ≤ 54.21
H-Bond Donors ≤ 52
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 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
The IUPAC name of 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide (CID 69135076) is 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide is Cc1nc2c(O)c(CC(O)Cc3ccccc3)c(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
The InChIKey is OVRGTEQWTNBLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4Si/c1-18-27-24-23(29(18)17-33-12-13-34(4,5)6)16-22(26(32)28(2)3)21(25(24)31)15-20(30)14-19-10-8-7-9-11-19/h7-11,16,20,30-31H,12-15,17H2,1-6H3.
What are the key properties of 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide has a molecular weight of 483.69 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(2-hydroxy-3-phenylpropyl)-N,N,2-trimethyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 69135076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).