1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol

C17H25N3O2S — CID 18349743

IUPAC1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol
SMILESCSc1ccc(OCC(C)(C)NCC(O)Cn2ccnc2)cc1
InChIInChI=1S/C17H25N3O2S/c1-17(2,12-22-15-4-6-16(23-3)7-5-15)19-10-14(21)11-20-9-8-18-13-20/h4-9,13-14,19,21H,10-12H2,1-3H3
InChIKeyDVZSTUNNLXUPCJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.41
Rot. Bonds9

About 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol

1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol (PubChem CID 18349743) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol
PubChem CID18349743
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol
SMILESCSc1ccc(OCC(C)(C)NCC(O)Cn2ccnc2)cc1
InChIInChI=1S/C17H25N3O2S/c1-17(2,12-22-15-4-6-16(23-3)7-5-15)19-10-14(21)11-20-9-8-18-13-20/h4-9,13-14,19,21H,10-12H2,1-3H3
InChIKeyDVZSTUNNLXUPCJ-UHFFFAOYSA-N
XLogP2.41
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-[2-[4-[1-(3,4-dimethylphenyl)sulfonylethyl]phenyl]propan-2-ylamino]-3-imidazol-1-ylpropan-2-ol;1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol
CID 67750410
1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349625
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide
CID 18349643
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol (CID 18349743) is 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol is CSc1ccc(OCC(C)(C)NCC(O)Cn2ccnc2)cc1.
What is the InChIKey of 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol?
The InChIKey is DVZSTUNNLXUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-17(2,12-22-15-4-6-16(23-3)7-5-15)19-10-14(21)11-20-9-8-18-13-20/h4-9,13-14,19,21H,10-12H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol?
1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol has a molecular weight of 335.47 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 18349743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).