6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol

C55H48F2N8O4 — CID 157435568

IUPAC6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
SMILESCOCCOc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F.Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C28H25FN4O2.C27H23FN4O2/c1-18-5-3-7-24(31-18)28-27(21-9-11-23-20(17-21)6-4-12-30-23)32-26(33-28)16-19-8-10-22(29)25(15-19)35-14-13-34-2;1-17-4-2-6-23(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/h3-12,15,17H,13-14,16H2,1-2H3,(H,32,33);2-11,14,16,33H,12-13,15H2,1H3,(H,31,32)
InChIKeyBRBATCBJEHSQFH-UHFFFAOYSA-N
MW923.04 g/mol
LogP10.85
Rot. Bonds15

About 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol

6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol (PubChem CID 157435568) has the molecular formula C55H48F2N8O4 and a molecular weight of 923.04 g/mol. Its IUPAC name is 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
PubChem CID157435568
Molecular FormulaC55H48F2N8O4
Molecular Weight923.04 g/mol
Exact Mass922.38
IUPAC Name6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
SMILESCOCCOc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F.Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C28H25FN4O2.C27H23FN4O2/c1-18-5-3-7-24(31-18)28-27(21-9-11-23-20(17-21)6-4-12-30-23)32-26(33-28)16-19-8-10-22(29)25(15-19)35-14-13-34-2;1-17-4-2-6-23(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/h3-12,15,17H,13-14,16H2,1-2H3,(H,32,33);2-11,14,16,33H,12-13,15H2,1H3,(H,31,32)
InChIKeyBRBATCBJEHSQFH-UHFFFAOYSA-N
XLogP10.85
TPSA156.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.04
LogP ≤ 510.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The IUPAC name of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol (CID 157435568) is 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;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 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol is COCCOc1cc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(C)n3)[nH]2)ccc1F.Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCO)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
The InChIKey is BRBATCBJEHSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2.C27H23FN4O2/c1-18-5-3-7-24(31-18)28-27(21-9-11-23-20(17-21)6-4-12-30-23)32-26(33-28)16-19-8-10-22(29)25(15-19)35-14-13-34-2;1-17-4-2-6-23(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/h3-12,15,17H,13-14,16H2,1-2H3,(H,32,33);2-11,14,16,33H,12-13,15H2,1H3,(H,31,32).
What are the key properties of 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol?
6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;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 923.04 g/mol, XLogP of 10.85, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;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 157435568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).