3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane

C21H34N2OSi — CID 154633145

IUPAC3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCc1ncc(-c2ccccc2)[nH]1)(C(C)C)C(C)C
InChIInChI=1S/C21H34N2OSi/c1-16(2)25(17(3)4,18(5)6)24-14-10-13-21-22-15-20(23-21)19-11-8-7-9-12-19/h7-9,11-12,15-18H,10,13-14H2,1-6H3,(H,22,23)
InChIKeyUBFDWEIAKWDYBO-UHFFFAOYSA-N
MW358.60 g/mol
LogP6.20
Rot. Bonds9

About 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane

3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane (PubChem CID 154633145) has the molecular formula C21H34N2OSi and a molecular weight of 358.60 g/mol. Its IUPAC name is 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane
PubChem CID154633145
Molecular FormulaC21H34N2OSi
Molecular Weight358.60 g/mol
Exact Mass358.24
IUPAC Name3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCc1ncc(-c2ccccc2)[nH]1)(C(C)C)C(C)C
InChIInChI=1S/C21H34N2OSi/c1-16(2)25(17(3)4,18(5)6)24-14-10-13-21-22-15-20(23-21)19-11-8-7-9-12-19/h7-9,11-12,15-18H,10,13-14H2,1-6H3,(H,22,23)
InChIKeyUBFDWEIAKWDYBO-UHFFFAOYSA-N
XLogP6.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 56.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane (CID 154633145) is 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCCc1ncc(-c2ccccc2)[nH]1)(C(C)C)C(C)C.
What is the InChIKey of 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane?
The InChIKey is UBFDWEIAKWDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2OSi/c1-16(2)25(17(3)4,18(5)6)24-14-10-13-21-22-15-20(23-21)19-11-8-7-9-12-19/h7-9,11-12,15-18H,10,13-14H2,1-6H3,(H,22,23).
What are the key properties of 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane?
3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane has a molecular weight of 358.60 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 154633145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).