1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol

C13H16N2OS — CID 10467210

IUPAC1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol
SMILESCCC(O)c1cnc(Sc2ccccc2)n1C
InChIInChI=1S/C13H16N2OS/c1-3-12(16)11-9-14-13(15(11)2)17-10-7-5-4-6-8-10/h4-9,12,16H,3H2,1-2H3
InChIKeyDJKGZQBHXVCNDF-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol

1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol (PubChem CID 10467210) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol
PubChem CID10467210
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol
SMILESCCC(O)c1cnc(Sc2ccccc2)n1C
InChIInChI=1S/C13H16N2OS/c1-3-12(16)11-9-14-13(15(11)2)17-10-7-5-4-6-8-10/h4-9,12,16H,3H2,1-2H3
InChIKeyDJKGZQBHXVCNDF-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol (CID 10467210) is 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol is CCC(O)c1cnc(Sc2ccccc2)n1C.
What is the InChIKey of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol?
The InChIKey is DJKGZQBHXVCNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-12(16)11-9-14-13(15(11)2)17-10-7-5-4-6-8-10/h4-9,12,16H,3H2,1-2H3.
What are the key properties of 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol?
1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylsulfanylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 10467210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).