4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

C23H22F6N4O — CID 10600891

IUPAC4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESFC(F)(F)c1cc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H22F6N4O/c24-22(25,26)18-12-17(13-19(14-18)23(27,28)29)20-21(16-2-4-30-5-3-16)33(15-31-20)7-1-6-32-8-10-34-11-9-32/h2-5,12-15H,1,6-11H2
InChIKeyNMHJJEKVRLBAEG-UHFFFAOYSA-N
MW484.44 g/mol
LogP5.37
Rot. Bonds6

About 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (PubChem CID 10600891) has the molecular formula C23H22F6N4O and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
PubChem CID10600891
Molecular FormulaC23H22F6N4O
Molecular Weight484.44 g/mol
Exact Mass484.17
IUPAC Name4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESFC(F)(F)c1cc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H22F6N4O/c24-22(25,26)18-12-17(13-19(14-18)23(27,28)29)20-21(16-2-4-30-5-3-16)33(15-31-20)7-1-6-32-8-10-34-11-9-32/h2-5,12-15H,1,6-11H2
InChIKeyNMHJJEKVRLBAEG-UHFFFAOYSA-N
XLogP5.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

SB-220025
CID 5164
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
L-790070
CID 9806182
VK-19911
CID 9797240
SB-242235
CID 9863367
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (CID 10600891) is 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is FC(F)(F)c1cc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The InChIKey is NMHJJEKVRLBAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6N4O/c24-22(25,26)18-12-17(13-19(14-18)23(27,28)29)20-21(16-2-4-30-5-3-16)33(15-31-20)7-1-6-32-8-10-34-11-9-32/h2-5,12-15H,1,6-11H2.
What are the key properties of 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine has a molecular weight of 484.44 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10600891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).