5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one

C22H18N2O3 — CID 15683237

IUPAC5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one
SMILESCOc1ccc(C2=NC(=O)N(c3ccccc3)C2(O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3/c1-27-19-14-12-16(13-15-19)20-22(26,17-8-4-2-5-9-17)24(21(25)23-20)18-10-6-3-7-11-18/h2-15,26H,1H3
InChIKeyHXTCMULBFDCTFY-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one

5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one (PubChem CID 15683237) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one
PubChem CID15683237
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one
SMILESCOc1ccc(C2=NC(=O)N(c3ccccc3)C2(O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3/c1-27-19-14-12-16(13-15-19)20-22(26,17-8-4-2-5-9-17)24(21(25)23-20)18-10-6-3-7-11-18/h2-15,26H,1H3
InChIKeyHXTCMULBFDCTFY-UHFFFAOYSA-N
XLogP3.97
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one?
The IUPAC name of 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one (CID 15683237) is 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one.
What is the SMILES notation for 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one?
The canonical SMILES for 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one is COc1ccc(C2=NC(=O)N(c3ccccc3)C2(O)c2ccccc2)cc1.
What is the InChIKey of 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one?
The InChIKey is HXTCMULBFDCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-27-19-14-12-16(13-15-19)20-22(26,17-8-4-2-5-9-17)24(21(25)23-20)18-10-6-3-7-11-18/h2-15,26H,1H3.
What are the key properties of 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one?
5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one is sourced from PubChem (CID 15683237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).