[5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol

C20H21F3N4O4 — CID 154826699

IUPAC[5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol
SMILESOCc1cc(OCCN2CCOCC2)cnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C20H21F3N4O4/c21-20(22,23)31-14-1-2-16-17(10-14)26-19(25-16)18-13(12-28)9-15(11-24-18)30-8-5-27-3-6-29-7-4-27/h1-2,9-11,28H,3-8,12H2,(H,25,26)
InChIKeyPKWNPABEBYKCFG-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.73
Rot. Bonds7

About [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol

[5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol (PubChem CID 154826699) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol
PubChem CID154826699
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name[5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol
SMILESOCc1cc(OCCN2CCOCC2)cnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C20H21F3N4O4/c21-20(22,23)31-14-1-2-16-17(10-14)26-19(25-16)18-13(12-28)9-15(11-24-18)30-8-5-27-3-6-29-7-4-27/h1-2,9-11,28H,3-8,12H2,(H,25,26)
InChIKeyPKWNPABEBYKCFG-UHFFFAOYSA-N
XLogP2.73
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol (CID 154826699) is [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol is OCc1cc(OCCN2CCOCC2)cnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol?
The InChIKey is PKWNPABEBYKCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c21-20(22,23)31-14-1-2-16-17(10-14)26-19(25-16)18-13(12-28)9-15(11-24-18)30-8-5-27-3-6-29-7-4-27/h1-2,9-11,28H,3-8,12H2,(H,25,26).
What are the key properties of [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol?
[5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol has a molecular weight of 438.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-morpholin-4-ylethoxy)-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 154826699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).