[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid

C26H23N3O3 — CID 118525688

IUPAC[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H23N3O3/c1-19(28-25(31)32)24(30)23-17-29(18-27-23)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19,28H,1H3,(H,31,32)
InChIKeyZOYSOBYSEZRDGZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.56
Rot. Bonds7

About [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid

[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid (PubChem CID 118525688) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
PubChem CID118525688
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H23N3O3/c1-19(28-25(31)32)24(30)23-17-29(18-27-23)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19,28H,1H3,(H,31,32)
InChIKeyZOYSOBYSEZRDGZ-UHFFFAOYSA-N
XLogP4.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
The IUPAC name of [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid (CID 118525688) is [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
The InChIKey is ZOYSOBYSEZRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-19(28-25(31)32)24(30)23-17-29(18-27-23)26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19,28H,1H3,(H,31,32).
What are the key properties of [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid has a molecular weight of 425.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 118525688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).