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

C27H23FN4O2 — CID 44546003

IUPAC2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H23FN4O2/c1-17-4-2-6-23(30-17)27-26(20-8-10-22-19(16-20)5-3-11-29-22)31-25(32-27)15-18-7-9-21(28)24(14-18)34-13-12-33/h2-11,14,16,33H,12-13,15H2,1H3,(H,31,32)
InChIKeyNOHQXYWIGVREJK-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.10
Rot. Bonds7

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

2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol (PubChem CID 44546003) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
PubChem CID44546003
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H23FN4O2/c1-17-4-2-6-23(30-17)27-26(20-8-10-22-19(16-20)5-3-11-29-22)31-25(32-27)15-18-7-9-21(28)24(14-18)34-13-12-33/h2-11,14,16,33H,12-13,15H2,1H3,(H,31,32)
InChIKeyNOHQXYWIGVREJK-UHFFFAOYSA-N
XLogP5.10
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol (CID 44546003) is 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-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-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The InChIKey is NOHQXYWIGVREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c1-17-4-2-6-23(30-17)27-26(20-8-10-22-19(16-20)5-3-11-29-22)31-25(32-27)15-18-7-9-21(28)24(14-18)34-13-12-33/h2-11,14,16,33H,12-13,15H2,1H3,(H,31,32).
What are the key properties of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol has a molecular weight of 454.51 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 44546003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).