1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

C22H26FN3O2 — CID 12521597

IUPAC1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C22H26FN3O2/c1-22(2,3)25-12-18(27)14-28-19-10-6-16(7-11-19)21-24-13-20(26-21)15-4-8-17(23)9-5-15/h4-11,13,18,25,27H,12,14H2,1-3H3,(H,24,26)
InChIKeyAHAUGUYGLHWMGN-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds7

About 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (PubChem CID 12521597) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
PubChem CID12521597
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C22H26FN3O2/c1-22(2,3)25-12-18(27)14-28-19-10-6-16(7-11-19)21-24-13-20(26-21)15-4-8-17(23)9-5-15/h4-11,13,18,25,27H,12,14H2,1-3H3,(H,24,26)
InChIKeyAHAUGUYGLHWMGN-UHFFFAOYSA-N
XLogP4.01
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (CID 12521597) is 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The InChIKey is AHAUGUYGLHWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-22(2,3)25-12-18(27)14-28-19-10-6-16(7-11-19)21-24-13-20(26-21)15-4-8-17(23)9-5-15/h4-11,13,18,25,27H,12,14H2,1-3H3,(H,24,26).
What are the key properties of 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol has a molecular weight of 383.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 12521597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).