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

C24H18FN5O — CID 59160535

IUPAC2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(O)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C24H18FN5O/c1-14-3-2-4-19(28-14)24-23(16-6-8-18-20(13-16)27-10-9-26-18)29-22(30-24)12-15-5-7-17(25)21(31)11-15/h2-11,13,31H,12H2,1H3,(H,29,30)
InChIKeyGALZAJHDNSVHRN-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.83
Rot. Bonds4

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

2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol (PubChem CID 59160535) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
PubChem CID59160535
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(O)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C24H18FN5O/c1-14-3-2-4-19(28-14)24-23(16-6-8-18-20(13-16)27-10-9-26-18)29-22(30-24)12-15-5-7-17(25)21(31)11-15/h2-11,13,31H,12H2,1H3,(H,29,30)
InChIKeyGALZAJHDNSVHRN-UHFFFAOYSA-N
XLogP4.83
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol?
The IUPAC name of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol (CID 59160535) is 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol?
The canonical SMILES for 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(O)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol?
The InChIKey is GALZAJHDNSVHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-14-3-2-4-19(28-14)24-23(16-6-8-18-20(13-16)27-10-9-26-18)29-22(30-24)12-15-5-7-17(25)21(31)11-15/h2-11,13,31H,12H2,1H3,(H,29,30).
What are the key properties of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol?
2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol has a molecular weight of 411.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol is sourced from PubChem (CID 59160535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).