1-tritylimidazole-4-carboxylic acid

C23H18N2O2 — CID 10570117

IUPAC1-tritylimidazole-4-carboxylic acid
SMILESO=C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27)
InChIKeyUQQHMXJCLHSYRV-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.42
Rot. Bonds5

About 1-tritylimidazole-4-carboxylic acid

1-tritylimidazole-4-carboxylic acid (PubChem CID 10570117) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-tritylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-tritylimidazole-4-carboxylic acid
PubChem CID10570117
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1-tritylimidazole-4-carboxylic acid
SMILESO=C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27)
InChIKeyUQQHMXJCLHSYRV-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-tritylimidazole-4-carboxylic acid 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

[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
CID 118525688
(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone
CID 10789333
(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
CID 24799040
(E)-3-fluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
CID 10927111
4-iodo-1-tritylimidazole;palladium
CID 174711966
3-(1-tritylimidazol-4-yl)propanoate
CID 7408441
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
CID 22664967
cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid
CID 10938090
[diphenyl-(1-tritylimidazol-4-yl)methyl]phosphonic acid
CID 22315060
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
methyl 2-amino-3-(1-tritylimidazol-4-yl)propanoate;hydrochloride
CID 53396006
4-(chloromethyl)-1-tritylimidazole
CID 2763176

Frequently Asked Questions

What is the IUPAC name of 1-tritylimidazole-4-carboxylic acid?
The IUPAC name of 1-tritylimidazole-4-carboxylic acid (CID 10570117) is 1-tritylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-tritylimidazole-4-carboxylic acid?
The canonical SMILES for 1-tritylimidazole-4-carboxylic acid is O=C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1-tritylimidazole-4-carboxylic acid?
The InChIKey is UQQHMXJCLHSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27).
What are the key properties of 1-tritylimidazole-4-carboxylic acid?
1-tritylimidazole-4-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylimidazole-4-carboxylic acid is sourced from PubChem (CID 10570117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).