1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol

C25H24N2O — CID 44604581

IUPAC1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H24N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19,23,28H,16-18H2
InChIKeyRTHVBUZQNCNXHS-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.21
Rot. Bonds7

About 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol

1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol (PubChem CID 44604581) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol
PubChem CID44604581
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H24N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19,23,28H,16-18H2
InChIKeyRTHVBUZQNCNXHS-UHFFFAOYSA-N
XLogP5.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol (CID 44604581) is 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol?
The InChIKey is RTHVBUZQNCNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c28-23(17-16-20-10-4-1-5-11-20)18-27-19-26-24(21-12-6-2-7-13-21)25(27)22-14-8-3-9-15-22/h1-15,19,23,28H,16-18H2.
What are the key properties of 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol?
1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol has a molecular weight of 368.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenylimidazol-1-yl)-4-phenylbutan-2-ol is sourced from PubChem (CID 44604581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).