4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine

C30H33FN4O2 — CID 69350657

IUPAC4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine
SMILESCc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(OCCN4CCOCC4)cc3)c2)n1
InChIInChI=1S/C30H33FN4O2/c1-20(2)30-33-28(29(34-30)27-6-4-5-21(3)32-27)23-9-12-26(31)25(19-23)22-7-10-24(11-8-22)37-18-15-35-13-16-36-17-14-35/h4-12,19-20H,13-18H2,1-3H3,(H,33,34)
InChIKeyLYFDWFZYLRGMIM-UHFFFAOYSA-N
MW500.62 g/mol
LogP6.09
Rot. Bonds8

About 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine

4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine (PubChem CID 69350657) has the molecular formula C30H33FN4O2 and a molecular weight of 500.62 g/mol. Its IUPAC name is 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine
PubChem CID69350657
Molecular FormulaC30H33FN4O2
Molecular Weight500.62 g/mol
Exact Mass500.26
IUPAC Name4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine
SMILESCc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(OCCN4CCOCC4)cc3)c2)n1
InChIInChI=1S/C30H33FN4O2/c1-20(2)30-33-28(29(34-30)27-6-4-5-21(3)32-27)23-9-12-26(31)25(19-23)22-7-10-24(11-8-22)37-18-15-35-13-16-36-17-14-35/h4-12,19-20H,13-18H2,1-3H3,(H,33,34)
InChIKeyLYFDWFZYLRGMIM-UHFFFAOYSA-N
XLogP6.09
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
2-methoxy-5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]pyridine
CID 69350556
2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine
CID 66679301
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-[4-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]phenyl]-3-methoxyphenoxy]ethyl]morpholine
CID 25176246
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
CID 58930607
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
CID 135656441
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine (CID 69350657) is 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(OCCN4CCOCC4)cc3)c2)n1.
What is the InChIKey of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine?
The InChIKey is LYFDWFZYLRGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O2/c1-20(2)30-33-28(29(34-30)27-6-4-5-21(3)32-27)23-9-12-26(31)25(19-23)22-7-10-24(11-8-22)37-18-15-35-13-16-36-17-14-35/h4-12,19-20H,13-18H2,1-3H3,(H,33,34).
What are the key properties of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine?
4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine has a molecular weight of 500.62 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 69350657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).