2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane

C22H28N2Si — CID 101479437

IUPAC2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1nc(-c2ccccc2)cn1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H28N2Si/c1-8-22-23-21(20-12-10-9-11-13-20)16-24(22)14-15-25(17(2)3,18(4)5)19(6)7/h1,9-13,16-19H,2-7H3
InChIKeyFOQAIPPWCDLAAW-UHFFFAOYSA-N
MW348.57 g/mol
LogP5.56
Rot. Bonds4

About 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane

2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 101479437) has the molecular formula C22H28N2Si and a molecular weight of 348.57 g/mol. Its IUPAC name is 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID101479437
Molecular FormulaC22H28N2Si
Molecular Weight348.57 g/mol
Exact Mass348.20
IUPAC Name2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1nc(-c2ccccc2)cn1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H28N2Si/c1-8-22-23-21(20-12-10-9-11-13-20)16-24(22)14-15-25(17(2)3,18(4)5)19(6)7/h1,9-13,16-19H,2-7H3
InChIKeyFOQAIPPWCDLAAW-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-2-iodo-4-phenylimidazole
CID 119084885
2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile
CID 132575285
2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane
CID 177420706
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-4-[2-tri(propan-2-yl)silylethynyl]aniline;4-ethynyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158079930
2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 10653117
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14935770
(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane
CID 10870722
2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
CID 67867536
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
CID 102235449
ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate
CID 134950158

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane (CID 101479437) is 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane is C#Cc1nc(-c2ccccc2)cn1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is FOQAIPPWCDLAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2Si/c1-8-22-23-21(20-12-10-9-11-13-20)16-24(22)14-15-25(17(2)3,18(4)5)19(6)7/h1,9-13,16-19H,2-7H3.
What are the key properties of 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 348.57 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 101479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).