(1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane

C25H34BrNOSi — CID 21082200

IUPAC(1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1cc2cc(Br)ccc2n1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H34BrNOSi/c1-18(2)29(19(3)4,20(5)6)28-17-24-15-22-14-23(26)12-13-25(22)27(24)16-21-10-8-7-9-11-21/h7-15,18-20H,16-17H2,1-6H3
InChIKeyYUUANSKWQSMXRK-UHFFFAOYSA-N
MW472.54 g/mol
LogP8.14
Rot. Bonds8

About (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane

(1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane (PubChem CID 21082200) has the molecular formula C25H34BrNOSi and a molecular weight of 472.54 g/mol. Its IUPAC name is (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane
PubChem CID21082200
Molecular FormulaC25H34BrNOSi
Molecular Weight472.54 g/mol
Exact Mass471.16
IUPAC Name(1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1cc2cc(Br)ccc2n1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H34BrNOSi/c1-18(2)29(19(3)4,20(5)6)28-17-24-15-22-14-23(26)12-13-25(22)27(24)16-21-10-8-7-9-11-21/h7-15,18-20H,16-17H2,1-6H3
InChIKeyYUUANSKWQSMXRK-UHFFFAOYSA-N
XLogP8.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane (CID 21082200) is (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1cc2cc(Br)ccc2n1Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane?
The InChIKey is YUUANSKWQSMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34BrNOSi/c1-18(2)29(19(3)4,20(5)6)28-17-24-15-22-14-23(26)12-13-25(22)27(24)16-21-10-8-7-9-11-21/h7-15,18-20H,16-17H2,1-6H3.
What are the key properties of (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane?
(1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane has a molecular weight of 472.54 g/mol, XLogP of 8.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-bromoindol-2-yl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 21082200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).