2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol

C24H23FN4O2 — CID 18387901

IUPAC2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol
SMILESCCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C24H23FN4O2/c1-3-19(14-30)29-15-27-22(17-6-8-18(25)9-7-17)23(29)21-12-13-26-24(28-21)31-20-10-4-16(2)5-11-20/h4-13,15,19,30H,3,14H2,1-2H3
InChIKeyRHIDNWQSSCTKFO-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.19
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol

2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol (PubChem CID 18387901) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol
PubChem CID18387901
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol
SMILESCCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C24H23FN4O2/c1-3-19(14-30)29-15-27-22(17-6-8-18(25)9-7-17)23(29)21-12-13-26-24(28-21)31-20-10-4-16(2)5-11-20/h4-13,15,19,30H,3,14H2,1-2H3
InChIKeyRHIDNWQSSCTKFO-UHFFFAOYSA-N
XLogP5.19
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol (CID 18387901) is 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol is CCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccc(C)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol?
The InChIKey is RHIDNWQSSCTKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-3-19(14-30)29-15-27-22(17-6-8-18(25)9-7-17)23(29)21-12-13-26-24(28-21)31-20-10-4-16(2)5-11-20/h4-13,15,19,30H,3,14H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol?
2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol has a molecular weight of 418.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]butan-1-ol is sourced from PubChem (CID 18387901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).