2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane

C17H22N2OSi — CID 10780445

IUPAC2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H22N2OSi/c1-21(2,3)12-10-15-6-8-17(9-7-15)20-11-4-5-16-13-18-14-19-16/h6-9,13-14H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyXEGXJHPOSUNLGD-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.65
Rot. Bonds5

About 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane

2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane (PubChem CID 10780445) has the molecular formula C17H22N2OSi and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane
PubChem CID10780445
Molecular FormulaC17H22N2OSi
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H22N2OSi/c1-21(2,3)12-10-15-6-8-17(9-7-15)20-11-4-5-16-13-18-14-19-16/h6-9,13-14H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyXEGXJHPOSUNLGD-UHFFFAOYSA-N
XLogP3.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane 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

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanol
CID 6422122
(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
CID 11776588
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane (CID 10780445) is 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(OCCCc2cnc[nH]2)cc1.
What is the InChIKey of 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane?
The InChIKey is XEGXJHPOSUNLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OSi/c1-21(2,3)12-10-15-6-8-17(9-7-15)20-11-4-5-16-13-18-14-19-16/h6-9,13-14H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane?
2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane has a molecular weight of 298.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 10780445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).