(8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C26H35N3O3Si — CID 15604455

IUPAC(8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C)CC[C@@H](c1ccccc1)O3
InChIInChI=1S/C26H35N3O3Si/c1-18-27-24-22(29(18)17-31-14-15-33(4,5)6)16-21(26(30)28(2)3)20-12-13-23(32-25(20)24)19-10-8-7-9-11-19/h7-11,16,23H,12-15,17H2,1-6H3/t23-/m0/s1
InChIKeyKJIWUXWUMQXMOY-QHCPKHFHSA-N
MW465.67 g/mol
LogP5.43
Rot. Bonds7

About (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15604455) has the molecular formula C26H35N3O3Si and a molecular weight of 465.67 g/mol. Its IUPAC name is (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15604455
Molecular FormulaC26H35N3O3Si
Molecular Weight465.67 g/mol
Exact Mass465.24
IUPAC Name(8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C)CC[C@@H](c1ccccc1)O3
InChIInChI=1S/C26H35N3O3Si/c1-18-27-24-22(29(18)17-31-14-15-33(4,5)6)16-21(26(30)28(2)3)20-12-13-23(32-25(20)24)19-10-8-7-9-11-19/h7-11,16,23H,12-15,17H2,1-6H3/t23-/m0/s1
InChIKeyKJIWUXWUMQXMOY-QHCPKHFHSA-N
XLogP5.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.67
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15604455) is (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C)CC[C@@H](c1ccccc1)O3.
What is the InChIKey of (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is KJIWUXWUMQXMOY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H35N3O3Si/c1-18-27-24-22(29(18)17-31-14-15-33(4,5)6)16-21(26(30)28(2)3)20-12-13-23(32-25(20)24)19-10-8-7-9-11-19/h7-11,16,23H,12-15,17H2,1-6H3/t23-/m0/s1.
What are the key properties of (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 465.67 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,N,2-trimethyl-8-phenyl-3-(2-trimethylsilylethoxymethyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15604455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).