2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol

C23H29F3N4O2 — CID 135192758

IUPAC2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
SMILESCc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/C23H29F3N4O2/c1-14(2)19(31)20-28-18(16-8-17(23(24,25)26)15(3)27-9-16)10-30(20)22-11-21(12-22,13-22)29-4-6-32-7-5-29/h8-10,14,19,31H,4-7,11-13H2,1-3H3
InChIKeyLNGNGYNXXNEDET-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.93
Rot. Bonds5

About 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol

2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol (PubChem CID 135192758) has the molecular formula C23H29F3N4O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
PubChem CID135192758
Molecular FormulaC23H29F3N4O2
Molecular Weight450.51 g/mol
Exact Mass450.22
IUPAC Name2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
SMILESCc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(C)C)n2)cc1C(F)(F)F
InChIInChI=1S/C23H29F3N4O2/c1-14(2)19(31)20-28-18(16-8-17(23(24,25)26)15(3)27-9-16)10-30(20)22-11-21(12-22,13-22)29-4-6-32-7-5-29/h8-10,14,19,31H,4-7,11-13H2,1-3H3
InChIKeyLNGNGYNXXNEDET-UHFFFAOYSA-N
XLogP3.93
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol with MolForge

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Related Compounds

SB-210313
CID 9885504
US11560366, Example 14b
CID 156274419
1-(3-Morpholinopropyl)-4-[3-(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10525956
4-{3-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl)-imidazol-1-yl]-propyl}-morpholine
CID 44269265
US10093664, Example 52
CID 134601022
US10093664, Example 47
CID 134601023
US10093664, Example 40
CID 134601026
US10093664, Example 2
CID 134601059
US10093664, Example 35
CID 134601165
US10093664, Example 68
CID 134601183
US10093664, Example 4
CID 134601235
US10093664, Example 6b
CID 134590103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol (CID 135192758) is 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol is Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(O)C(C)C)n2)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
The InChIKey is LNGNGYNXXNEDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O2/c1-14(2)19(31)20-28-18(16-8-17(23(24,25)26)15(3)27-9-16)10-30(20)22-11-21(12-22,13-22)29-4-6-32-7-5-29/h8-10,14,19,31H,4-7,11-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol has a molecular weight of 450.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 135192758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).