2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol

C26H22FN5O2 — CID 44546006

IUPAC2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H22FN5O2/c1-16-3-2-4-21(30-16)26-25(18-6-8-20-22(15-18)29-10-9-28-20)31-24(32-26)14-17-5-7-19(27)23(13-17)34-12-11-33/h2-10,13,15,33H,11-12,14H2,1H3,(H,31,32)
InChIKeyLTSBAKXZLZWTJR-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.49
Rot. Bonds7

About 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol

2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol (PubChem CID 44546006) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
PubChem CID44546006
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H22FN5O2/c1-16-3-2-4-21(30-16)26-25(18-6-8-20-22(15-18)29-10-9-28-20)31-24(32-26)14-17-5-7-19(27)23(13-17)34-12-11-33/h2-10,13,15,33H,11-12,14H2,1H3,(H,31,32)
InChIKeyLTSBAKXZLZWTJR-UHFFFAOYSA-N
XLogP4.49
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol (CID 44546006) is 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The InChIKey is LTSBAKXZLZWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-16-3-2-4-21(30-16)26-25(18-6-8-20-22(15-18)29-10-9-28-20)31-24(32-26)14-17-5-7-19(27)23(13-17)34-12-11-33/h2-10,13,15,33H,11-12,14H2,1H3,(H,31,32).
What are the key properties of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol has a molecular weight of 455.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 44546006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).