2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile

C28H30N4OSi — CID 123833812

IUPAC2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccc(CC#N)cc1
InChIInChI=1S/C28H30N4OSi/c1-34(2,3)20-19-33-21-32-27(24-11-9-22(10-12-24)13-16-29)26(23-14-17-30-18-15-23)31-28(32)25-7-5-4-6-8-25/h4-12,14-15,17-18H,13,19-21H2,1-3H3
InChIKeyNXRSZCRXDCJLRV-UHFFFAOYSA-N
MW466.66 g/mol
LogP6.66
Rot. Bonds9

About 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile

2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile (PubChem CID 123833812) has the molecular formula C28H30N4OSi and a molecular weight of 466.66 g/mol. Its IUPAC name is 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile
PubChem CID123833812
Molecular FormulaC28H30N4OSi
Molecular Weight466.66 g/mol
Exact Mass466.22
IUPAC Name2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccc(CC#N)cc1
InChIInChI=1S/C28H30N4OSi/c1-34(2,3)20-19-33-21-32-27(24-11-9-22(10-12-24)13-16-29)26(23-14-17-30-18-15-23)31-28(32)25-7-5-4-6-8-25/h4-12,14-15,17-18H,13,19-21H2,1-3H3
InChIKeyNXRSZCRXDCJLRV-UHFFFAOYSA-N
XLogP6.66
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile (CID 123833812) is 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile is C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile?
The InChIKey is NXRSZCRXDCJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4OSi/c1-34(2,3)20-19-33-21-32-27(24-11-9-22(10-12-24)13-16-29)26(23-14-17-30-18-15-23)31-28(32)25-7-5-4-6-8-25/h4-12,14-15,17-18H,13,19-21H2,1-3H3.
What are the key properties of 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile?
2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile has a molecular weight of 466.66 g/mol, XLogP of 6.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-phenyl-5-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]acetonitrile is sourced from PubChem (CID 123833812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).