3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane

C27H40N2O2Si — CID 154633102

IUPAC3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane
SMILESCOCn1cc(-c2ccc3ccccc3c2)nc1CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H40N2O2Si/c1-20(2)32(21(3)4,22(5)6)31-16-10-13-27-28-26(18-29(27)19-30-7)25-15-14-23-11-8-9-12-24(23)17-25/h8-9,11-12,14-15,17-18,20-22H,10,13,16,19H2,1-7H3
InChIKeyCDPKLFXDAJQBAF-UHFFFAOYSA-N
MW452.72 g/mol
LogP7.43
Rot. Bonds11

About 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane

3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane (PubChem CID 154633102) has the molecular formula C27H40N2O2Si and a molecular weight of 452.72 g/mol. Its IUPAC name is 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane
PubChem CID154633102
Molecular FormulaC27H40N2O2Si
Molecular Weight452.72 g/mol
Exact Mass452.29
IUPAC Name3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane
SMILESCOCn1cc(-c2ccc3ccccc3c2)nc1CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H40N2O2Si/c1-20(2)32(21(3)4,22(5)6)31-16-10-13-27-28-26(18-29(27)19-30-7)25-15-14-23-11-8-9-12-24(23)17-25/h8-9,11-12,14-15,17-18,20-22H,10,13,16,19H2,1-7H3
InChIKeyCDPKLFXDAJQBAF-UHFFFAOYSA-N
XLogP7.43
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane (CID 154633102) is 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane is COCn1cc(-c2ccc3ccccc3c2)nc1CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane?
The InChIKey is CDPKLFXDAJQBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2Si/c1-20(2)32(21(3)4,22(5)6)31-16-10-13-27-28-26(18-29(27)19-30-7)25-15-14-23-11-8-9-12-24(23)17-25/h8-9,11-12,14-15,17-18,20-22H,10,13,16,19H2,1-7H3.
What are the key properties of 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane?
3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane has a molecular weight of 452.72 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methoxymethyl)-4-naphthalen-2-ylimidazol-2-yl]propoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 154633102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).