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

C21H26N4O2 — CID 12521603

IUPAC1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)24-12-16(26)14-27-17-9-7-15(8-10-17)20-23-13-19(25-20)18-6-4-5-11-22-18/h4-11,13,16,24,26H,12,14H2,1-3H3,(H,23,25)
InChIKeyDELRPYSQYIICCP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds7

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

1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 12521603) 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-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID12521603
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)24-12-16(26)14-27-17-9-7-15(8-10-17)20-23-13-19(25-20)18-6-4-5-11-22-18/h4-11,13,16,24,26H,12,14H2,1-3H3,(H,23,25)
InChIKeyDELRPYSQYIICCP-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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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 12521603) is 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(-c2ncc(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is DELRPYSQYIICCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,3)24-12-16(26)14-27-17-9-7-15(8-10-17)20-23-13-19(25-20)18-6-4-5-11-22-18/h4-11,13,16,24,26H,12,14H2,1-3H3,(H,23,25).
What are the key properties of 1-(tert-butylamino)-3-[4-(5-pyridin-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-(5-pyridin-2-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-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 12521603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).