[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol

C25H19F2N3O4S — CID 167504556

IUPAC[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
SMILESCS(=O)(=O)c1c(Oc2ccc(F)c(-c3ncc(C(O)c4ccccc4)[nH]3)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C25H19F2N3O4S/c1-35(32,33)24-16-9-10-28-20(16)12-19(27)23(24)34-15-7-8-18(26)17(11-15)25-29-13-21(30-25)22(31)14-5-3-2-4-6-14/h2-13,22,28,31H,1H3,(H,29,30)
InChIKeyJHTNIEVKJGFZNS-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.11
Rot. Bonds6

About [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol

[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol (PubChem CID 167504556) has the molecular formula C25H19F2N3O4S and a molecular weight of 495.51 g/mol. Its IUPAC name is [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
PubChem CID167504556
Molecular FormulaC25H19F2N3O4S
Molecular Weight495.51 g/mol
Exact Mass495.11
IUPAC Name[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol
SMILESCS(=O)(=O)c1c(Oc2ccc(F)c(-c3ncc(C(O)c4ccccc4)[nH]3)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C25H19F2N3O4S/c1-35(32,33)24-16-9-10-28-20(16)12-19(27)23(24)34-15-7-8-18(26)17(11-15)25-29-13-21(30-25)22(31)14-5-3-2-4-6-14/h2-13,22,28,31H,1H3,(H,29,30)
InChIKeyJHTNIEVKJGFZNS-UHFFFAOYSA-N
XLogP5.11
TPSA108.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
The IUPAC name of [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol (CID 167504556) is [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol.
What is the SMILES notation for [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
The canonical SMILES for [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol is CS(=O)(=O)c1c(Oc2ccc(F)c(-c3ncc(C(O)c4ccccc4)[nH]3)c2)c(F)cc2[nH]ccc12.
What is the InChIKey of [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
The InChIKey is JHTNIEVKJGFZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O4S/c1-35(32,33)24-16-9-10-28-20(16)12-19(27)23(24)34-15-7-8-18(26)17(11-15)25-29-13-21(30-25)22(31)14-5-3-2-4-6-14/h2-13,22,28,31H,1H3,(H,29,30).
What are the key properties of [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol?
[2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol has a molecular weight of 495.51 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-fluoro-5-[(6-fluoro-4-methylsulfonyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-phenylmethanol is sourced from PubChem (CID 167504556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).