CID 178054253

C25H28N2OSi- — CID 178054253

IUPAC—
SMILESCC(C)(C)[Si-](OCCNc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2OSi/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-18-27-22-16-14-21(20-26)15-17-22/h4-17,27H,18-19H2,1-3H3/q-1
InChIKeyQYFISFLEJPZRER-UHFFFAOYSA-N
MW400.60 g/mol
LogP4.55
Rot. Bonds7

About CID 178054253

CID 178054253 (PubChem CID 178054253) has the molecular formula C25H28N2OSi- and a molecular weight of 400.60 g/mol.

Molecular Properties

Compound NameCID 178054253
PubChem CID178054253
Molecular FormulaC25H28N2OSi-
Molecular Weight400.60 g/mol
Exact Mass400.20
IUPAC Name—
SMILESCC(C)(C)[Si-](OCCNc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2OSi/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-18-27-22-16-14-21(20-26)15-17-22/h4-17,27H,18-19H2,1-3H3/q-1
InChIKeyQYFISFLEJPZRER-UHFFFAOYSA-N
XLogP4.55
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 178054253 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-anilinoethoxy)benzonitrile
CID 134030846
3-(4-cyanoanilino)propyl benzenesulfonate
CID 11267061
2-[2-(4-cyanoanilino)ethoxy]acetic acid
CID 79456667
4-[(3-cyano-3-methylbutyl)amino]benzonitrile
CID 65249079
4-(decylamino)benzonitrile
CID 23349332
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
4-(3-cyanopropylamino)benzonitrile
CID 28582716
4-[(3-oxo-3-phenylpropyl)amino]benzonitrile
CID 94268936
4-[2-(propylamino)ethylamino]benzonitrile
CID 62664287
4-[[4-(tetradecylamino)phenyl]diazenyl]benzonitrile
CID 5051990
4-(4-hydroxypentylamino)benzonitrile
CID 107269238
methyl 3-(4-cyanoanilino)propanoate
CID 43243076

Frequently Asked Questions

What is the IUPAC name of CID 178054253?
The IUPAC name of CID 178054253 (CID 178054253) is not available.
What is the SMILES notation for CID 178054253?
The canonical SMILES for CID 178054253 is CC(C)(C)[Si-](OCCNc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 178054253?
The InChIKey is QYFISFLEJPZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2OSi/c1-25(2,3)29(23-10-6-4-7-11-23,24-12-8-5-9-13-24)28-19-18-27-22-16-14-21(20-26)15-17-22/h4-17,27H,18-19H2,1-3H3/q-1.
What are the key properties of CID 178054253?
CID 178054253 has a molecular weight of 400.60 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178054253 is sourced from PubChem (CID 178054253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).