4-(1,4,5-triphenylimidazol-2-yl)phenol

C27H20N2O — CID 135461036

IUPAC4-(1,4,5-triphenylimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C27H20N2O/c30-24-18-16-22(17-19-24)27-28-25(20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)29(27)23-14-8-3-9-15-23/h1-19,30H
InChIKeyGCKCWYDVTWNXAX-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.58
Rot. Bonds4

About 4-(1,4,5-triphenylimidazol-2-yl)phenol

4-(1,4,5-triphenylimidazol-2-yl)phenol (PubChem CID 135461036) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(1,4,5-triphenylimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(1,4,5-triphenylimidazol-2-yl)phenol
PubChem CID135461036
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name4-(1,4,5-triphenylimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C27H20N2O/c30-24-18-16-22(17-19-24)27-28-25(20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)29(27)23-14-8-3-9-15-23/h1-19,30H
InChIKeyGCKCWYDVTWNXAX-UHFFFAOYSA-N
XLogP6.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4,5-triphenylimidazol-2-yl)phenol?
The IUPAC name of 4-(1,4,5-triphenylimidazol-2-yl)phenol (CID 135461036) is 4-(1,4,5-triphenylimidazol-2-yl)phenol.
What is the SMILES notation for 4-(1,4,5-triphenylimidazol-2-yl)phenol?
The canonical SMILES for 4-(1,4,5-triphenylimidazol-2-yl)phenol is Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 4-(1,4,5-triphenylimidazol-2-yl)phenol?
The InChIKey is GCKCWYDVTWNXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c30-24-18-16-22(17-19-24)27-28-25(20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)29(27)23-14-8-3-9-15-23/h1-19,30H.
What are the key properties of 4-(1,4,5-triphenylimidazol-2-yl)phenol?
4-(1,4,5-triphenylimidazol-2-yl)phenol has a molecular weight of 388.47 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,5-triphenylimidazol-2-yl)phenol is sourced from PubChem (CID 135461036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).