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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 135079
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878481
(R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 25008420
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
(R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44591265
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
1-[(Propan-2-yl)amino]-3-{4-[4-(thiophen-2-yl)-1H-imidazol-2-yl]phenoxy}propan-2-ol
CID 13157406

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).