methyl 1,2,5-triphenylimidazole-4-carboxylate

C23H18N2O2 — CID 66572235

IUPACmethyl 1,2,5-triphenylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H18N2O2/c1-27-23(26)20-21(17-11-5-2-6-12-17)25(19-15-9-4-10-16-19)22(24-20)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyOSIOQBZSKINFHB-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.99
Rot. Bonds4

About methyl 1,2,5-triphenylimidazole-4-carboxylate

methyl 1,2,5-triphenylimidazole-4-carboxylate (PubChem CID 66572235) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 1,2,5-triphenylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,5-triphenylimidazole-4-carboxylate
PubChem CID66572235
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Namemethyl 1,2,5-triphenylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H18N2O2/c1-27-23(26)20-21(17-11-5-2-6-12-17)25(19-15-9-4-10-16-19)22(24-20)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyOSIOQBZSKINFHB-UHFFFAOYSA-N
XLogP4.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,5-triphenylimidazole-4-carboxylate?
The IUPAC name of methyl 1,2,5-triphenylimidazole-4-carboxylate (CID 66572235) is methyl 1,2,5-triphenylimidazole-4-carboxylate.
What is the SMILES notation for methyl 1,2,5-triphenylimidazole-4-carboxylate?
The canonical SMILES for methyl 1,2,5-triphenylimidazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 1,2,5-triphenylimidazole-4-carboxylate?
The InChIKey is OSIOQBZSKINFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-23(26)20-21(17-11-5-2-6-12-17)25(19-15-9-4-10-16-19)22(24-20)18-13-7-3-8-14-18/h2-16H,1H3.
What are the key properties of methyl 1,2,5-triphenylimidazole-4-carboxylate?
methyl 1,2,5-triphenylimidazole-4-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,5-triphenylimidazole-4-carboxylate is sourced from PubChem (CID 66572235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).