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

C17H25N3O2 — CID 12521605

IUPAC1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCc1cnc(-c2ccc(OCC(O)CNC(C)(C)C)cc2)[nH]1
InChIInChI=1S/C17H25N3O2/c1-12-9-18-16(20-12)13-5-7-15(8-6-13)22-11-14(21)10-19-17(2,3)4/h5-9,14,19,21H,10-11H2,1-4H3,(H,18,20)
InChIKeyQCOHQEFWHYJLRH-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.51
Rot. Bonds6

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

1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 12521605) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID12521605
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESCc1cnc(-c2ccc(OCC(O)CNC(C)(C)C)cc2)[nH]1
InChIInChI=1S/C17H25N3O2/c1-12-9-18-16(20-12)13-5-7-15(8-6-13)22-11-14(21)10-19-17(2,3)4/h5-9,14,19,21H,10-11H2,1-4H3,(H,18,20)
InChIKeyQCOHQEFWHYJLRH-UHFFFAOYSA-N
XLogP2.51
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
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-(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
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 12521605) is 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol is Cc1cnc(-c2ccc(OCC(O)CNC(C)(C)C)cc2)[nH]1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is QCOHQEFWHYJLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-9-18-16(20-12)13-5-7-15(8-6-13)22-11-14(21)10-19-17(2,3)4/h5-9,14,19,21H,10-11H2,1-4H3,(H,18,20).
What are the key properties of 1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 2.51, 6 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-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 12521605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).