N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid

C74H68FN9O11 — CID 122583374

IUPACN-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(CC1CCOCC1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(F)c1.O=C(O)c1cccc(C(=O)Nc2ccc(CCOc3ccccc3-c3cnc[nH]3)cc2)c1.O=C(O)c1ccccc1C(=O)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/2C25H21N3O4.C24H26FN3O3/c29-24(18-4-3-5-19(14-18)25(30)31)28-20-10-8-17(9-11-20)12-13-32-23-7-2-1-6-21(23)22-15-26-16-27-22;29-24(19-5-1-2-6-20(19)25(30)31)28-18-11-9-17(10-12-18)13-14-32-23-8-4-3-7-21(23)22-15-26-16-27-22;25-21-14-19(28-24(29)13-17-7-10-30-11-8-17)6-5-18(21)9-12-31-23-4-2-1-3-20(23)22-15-26-16-27-22/h1-11,14-16H,12-13H2,(H,26,27)(H,28,29)(H,30,31);1-12,15-16H,13-14H2,(H,26,27)(H,28,29)(H,30,31);1-6,14-17H,7-13H2,(H,26,27)(H,28,29)
InChIKeyQZBLEZHTRKKTOR-UHFFFAOYSA-N
MW1278.41 g/mol
LogP13.89
Rot. Bonds24

About N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid

N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid (PubChem CID 122583374) has the molecular formula C74H68FN9O11 and a molecular weight of 1278.41 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
PubChem CID122583374
Molecular FormulaC74H68FN9O11
Molecular Weight1278.41 g/mol
Exact Mass1277.50
IUPAC NameN-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(CC1CCOCC1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(F)c1.O=C(O)c1cccc(C(=O)Nc2ccc(CCOc3ccccc3-c3cnc[nH]3)cc2)c1.O=C(O)c1ccccc1C(=O)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/2C25H21N3O4.C24H26FN3O3/c29-24(18-4-3-5-19(14-18)25(30)31)28-20-10-8-17(9-11-20)12-13-32-23-7-2-1-6-21(23)22-15-26-16-27-22;29-24(19-5-1-2-6-20(19)25(30)31)28-18-11-9-17(10-12-18)13-14-32-23-8-4-3-7-21(23)22-15-26-16-27-22;25-21-14-19(28-24(29)13-17-7-10-30-11-8-17)6-5-18(21)9-12-31-23-4-2-1-3-20(23)22-15-26-16-27-22/h1-11,14-16H,12-13H2,(H,26,27)(H,28,29)(H,30,31);1-12,15-16H,13-14H2,(H,26,27)(H,28,29)(H,30,31);1-6,14-17H,7-13H2,(H,26,27)(H,28,29)
InChIKeyQZBLEZHTRKKTOR-UHFFFAOYSA-N
XLogP13.89
TPSA284.86 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001278.41
LogP ≤ 513.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid (CID 122583374) is N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid is O=C(CC1CCOCC1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(F)c1.O=C(O)c1cccc(C(=O)Nc2ccc(CCOc3ccccc3-c3cnc[nH]3)cc2)c1.O=C(O)c1ccccc1C(=O)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is QZBLEZHTRKKTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21N3O4.C24H26FN3O3/c29-24(18-4-3-5-19(14-18)25(30)31)28-20-10-8-17(9-11-20)12-13-32-23-7-2-1-6-21(23)22-15-26-16-27-22;29-24(19-5-1-2-6-20(19)25(30)31)28-18-11-9-17(10-12-18)13-14-32-23-8-4-3-7-21(23)22-15-26-16-27-22;25-21-14-19(28-24(29)13-17-7-10-30-11-8-17)6-5-18(21)9-12-31-23-4-2-1-3-20(23)22-15-26-16-27-22/h1-11,14-16H,12-13H2,(H,26,27)(H,28,29)(H,30,31);1-12,15-16H,13-14H2,(H,26,27)(H,28,29)(H,30,31);1-6,14-17H,7-13H2,(H,26,27)(H,28,29).
What are the key properties of N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid?
N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 1278.41 g/mol, XLogP of 13.89, 24 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 122583374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).