2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile

C26H23N3 — CID 54284261

IUPAC2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
SMILESCC(C)(C#N)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N3/c1-25(2,19-27)24-18-28-20-29(24)26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,20H,1-2H3
InChIKeyRSZJVOVSFHCOTQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.52
Rot. Bonds5

About 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile

2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile (PubChem CID 54284261) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
PubChem CID54284261
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile
SMILESCC(C)(C#N)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N3/c1-25(2,19-27)24-18-28-20-29(24)26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,20H,1-2H3
InChIKeyRSZJVOVSFHCOTQ-UHFFFAOYSA-N
XLogP5.52
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-tritylimidazol-4-yl)methanone
CID 174611093
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300340
2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300341
2-(3-tritylimidazol-4-yl)propan-1-amine
CID 169163524
1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 166068296
CID 59549293
CID 59549293
6-(3-tritylimidazol-4-yl)hexanoic acid
CID 164717420
(Z)-2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 130300555
1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
CID 142004083
5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
CID 71049713
2,2-diphenyl-2-pyrimidin-5-ylacetonitrile
CID 18994305
tert-butylbenzene;methanimine
CID 174908280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile (CID 54284261) is 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile is CC(C)(C#N)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile?
The InChIKey is RSZJVOVSFHCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-25(2,19-27)24-18-28-20-29(24)26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,20H,1-2H3.
What are the key properties of 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile?
2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile has a molecular weight of 377.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-tritylimidazol-4-yl)propanenitrile is sourced from PubChem (CID 54284261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).