1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol

C17H24N2OS — CID 70577720

IUPAC1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol
SMILESCC(C)CCSc1ccccc1CC(O)Cn1ccnc1
InChIInChI=1S/C17H24N2OS/c1-14(2)7-10-21-17-6-4-3-5-15(17)11-16(20)12-19-9-8-18-13-19/h3-6,8-9,13-14,16,20H,7,10-12H2,1-2H3
InChIKeyXIJSMBTZODQDFT-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.62
Rot. Bonds8

About 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol

1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol (PubChem CID 70577720) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol
PubChem CID70577720
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol
SMILESCC(C)CCSc1ccccc1CC(O)Cn1ccnc1
InChIInChI=1S/C17H24N2OS/c1-14(2)7-10-21-17-6-4-3-5-15(17)11-16(20)12-19-9-8-18-13-19/h3-6,8-9,13-14,16,20H,7,10-12H2,1-2H3
InChIKeyXIJSMBTZODQDFT-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylsulfanyl)phenyl]methanol
CID 91658036
3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
CID 20573264
1-carbazol-9-yl-3-imidazol-1-ylpropan-2-ol;ethane
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1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
1-imidazol-1-yl-3-methylbutan-2-ol
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(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-imidazol-1-yl-1-phenylpropan-1-ol;ethane;propane
CID 91130306
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
1-[3-(2-chlorophenyl)-2-phenylpropyl]imidazole
CID 71393269
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
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CID 70559586

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol (CID 70577720) is 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol is CC(C)CCSc1ccccc1CC(O)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol?
The InChIKey is XIJSMBTZODQDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14(2)7-10-21-17-6-4-3-5-15(17)11-16(20)12-19-9-8-18-13-19/h3-6,8-9,13-14,16,20H,7,10-12H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol?
1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol has a molecular weight of 304.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol is sourced from PubChem (CID 70577720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).