2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile

C24H18FN3 — CID 70553400

IUPAC2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile
SMILESN#CCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18FN3/c25-23-27-21(16-17-26)22(28-23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16H2,(H,27,28)
InChIKeyQEMPBDRDRUWWHA-UHFFFAOYSA-N
MW367.43 g/mol
LogP5.00
Rot. Bonds5

About 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile

2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile (PubChem CID 70553400) has the molecular formula C24H18FN3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile
PubChem CID70553400
Molecular FormulaC24H18FN3
Molecular Weight367.43 g/mol
Exact Mass367.15
IUPAC Name2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile
SMILESN#CCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18FN3/c25-23-27-21(16-17-26)22(28-23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16H2,(H,27,28)
InChIKeyQEMPBDRDRUWWHA-UHFFFAOYSA-N
XLogP5.00
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile?
The IUPAC name of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile (CID 70553400) is 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile is N#CCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile?
The InChIKey is QEMPBDRDRUWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3/c25-23-27-21(16-17-26)22(28-23)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16H2,(H,27,28).
What are the key properties of 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile?
2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile has a molecular weight of 367.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-trityl-1H-imidazol-5-yl)acetonitrile is sourced from PubChem (CID 70553400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).