1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol

C32H27FN6O2 — CID 178019194

IUPAC1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol
SMILESOC(Cn1ccnc1)(c1ccccc1)c1ccc(-c2ccc(C(O)(Cn3ccnc3)c3ccc(F)cc3)nc2)cn1
InChIInChI=1S/C32H27FN6O2/c33-28-10-8-27(9-11-28)32(41,21-39-17-15-35-23-39)30-13-7-25(19-37-30)24-6-12-29(36-18-24)31(40,20-38-16-14-34-22-38)26-4-2-1-3-5-26/h1-19,22-23,40-41H,20-21H2
InChIKeyWXPNCEZPBZDIIP-UHFFFAOYSA-N
MW546.61 g/mol
LogP4.55
Rot. Bonds9

About 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol

1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol (PubChem CID 178019194) has the molecular formula C32H27FN6O2 and a molecular weight of 546.61 g/mol. Its IUPAC name is 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol.

Molecular Properties

Compound Name1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol
PubChem CID178019194
Molecular FormulaC32H27FN6O2
Molecular Weight546.61 g/mol
Exact Mass546.22
IUPAC Name1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol
SMILESOC(Cn1ccnc1)(c1ccccc1)c1ccc(-c2ccc(C(O)(Cn3ccnc3)c3ccc(F)cc3)nc2)cn1
InChIInChI=1S/C32H27FN6O2/c33-28-10-8-27(9-11-28)32(41,21-39-17-15-35-23-39)30-13-7-25(19-37-30)24-6-12-29(36-18-24)31(40,20-38-16-14-34-22-38)26-4-2-1-3-5-26/h1-19,22-23,40-41H,20-21H2
InChIKeyWXPNCEZPBZDIIP-UHFFFAOYSA-N
XLogP4.55
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.61
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol?
The IUPAC name of 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol (CID 178019194) is 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol.
What is the SMILES notation for 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol?
The canonical SMILES for 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol is OC(Cn1ccnc1)(c1ccccc1)c1ccc(-c2ccc(C(O)(Cn3ccnc3)c3ccc(F)cc3)nc2)cn1.
What is the InChIKey of 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol?
The InChIKey is WXPNCEZPBZDIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN6O2/c33-28-10-8-27(9-11-28)32(41,21-39-17-15-35-23-39)30-13-7-25(19-37-30)24-6-12-29(36-18-24)31(40,20-38-16-14-34-22-38)26-4-2-1-3-5-26/h1-19,22-23,40-41H,20-21H2.
What are the key properties of 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol?
1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol has a molecular weight of 546.61 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol is sourced from PubChem (CID 178019194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).