2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol

C14H18N2OS — CID 3057199

IUPAC2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C14H18N2OS/c1-11(2)18-13-5-3-12(4-6-13)14(17)9-16-8-7-15-10-16/h3-8,10-11,14,17H,9H2,1-2H3
InChIKeyKCEYYADUZJLLTI-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.12
Rot. Bonds5

About 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol

2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 3057199) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol
PubChem CID3057199
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc(C(O)Cn2ccnc2)cc1
InChIInChI=1S/C14H18N2OS/c1-11(2)18-13-5-3-12(4-6-13)14(17)9-16-8-7-15-10-16/h3-8,10-11,14,17H,9H2,1-2H3
InChIKeyKCEYYADUZJLLTI-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol (CID 3057199) is 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccc(C(O)Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is KCEYYADUZJLLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(2)18-13-5-3-12(4-6-13)14(17)9-16-8-7-15-10-16/h3-8,10-11,14,17H,9H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol?
2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol has a molecular weight of 262.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 3057199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).