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

C21H26N4O2 — CID 12521604

IUPAC1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3cccnc3)[nH]2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)24-12-17(26)14-27-18-8-6-15(7-9-18)20-23-13-19(25-20)16-5-4-10-22-11-16/h4-11,13,17,24,26H,12,14H2,1-3H3,(H,23,25)
InChIKeyGBIPFTGFDWOBEF-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds7

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

1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 12521604) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID12521604
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3cccnc3)[nH]2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)24-12-17(26)14-27-18-8-6-15(7-9-18)20-23-13-19(25-20)16-5-4-10-22-11-16/h4-11,13,17,24,26H,12,14H2,1-3H3,(H,23,25)
InChIKeyGBIPFTGFDWOBEF-UHFFFAOYSA-N
XLogP3.27
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
SB 590885
CID 135564599
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
CID 135398506
(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-(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
(E)-SB-590885
CID 135421339
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
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-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 12521604) is 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3cccnc3)[nH]2)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is GBIPFTGFDWOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,3)24-12-17(26)14-27-18-8-6-15(7-9-18)20-23-13-19(25-20)16-5-4-10-22-11-16/h4-11,13,17,24,26H,12,14H2,1-3H3,(H,23,25).
What are the key properties of 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 366.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[4-(5-pyridin-3-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 12521604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).