4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one

C25H22N2O2 — CID 70489971

IUPAC4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one
SMILESO=C(COc1ccccc1)C(Cn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-24(18-29-23-14-8-3-9-15-23)25(19-27-17-16-26-20-27,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-17,20H,18-19H2
InChIKeyZNBUJQRHSAXGTL-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.52
Rot. Bonds8

About 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one

4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one (PubChem CID 70489971) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one
PubChem CID70489971
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one
SMILESO=C(COc1ccccc1)C(Cn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-24(18-29-23-14-8-3-9-15-23)25(19-27-17-16-26-20-27,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-17,20H,18-19H2
InChIKeyZNBUJQRHSAXGTL-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
CID 2827447
[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
CID 10221967
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
benzhydryl 2-imidazol-1-ylacetate
CID 3678349
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one?
The IUPAC name of 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one (CID 70489971) is 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one.
What is the SMILES notation for 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one?
The canonical SMILES for 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one is O=C(COc1ccccc1)C(Cn1ccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one?
The InChIKey is ZNBUJQRHSAXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-24(18-29-23-14-8-3-9-15-23)25(19-27-17-16-26-20-27,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-17,20H,18-19H2.
What are the key properties of 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one?
4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one has a molecular weight of 382.46 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one is sourced from PubChem (CID 70489971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).