[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol

C12H18N4OS — CID 66149021

IUPAC[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCC(C)n1ccc(CSc2ncc(CO)n2C)n1
InChIInChI=1S/C12H18N4OS/c1-9(2)16-5-4-10(14-16)8-18-12-13-6-11(7-17)15(12)3/h4-6,9,17H,7-8H2,1-3H3
InChIKeyHSYIUIONWUPYRM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.98
Rot. Bonds5

About [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 66149021) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID66149021
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCC(C)n1ccc(CSc2ncc(CO)n2C)n1
InChIInChI=1S/C12H18N4OS/c1-9(2)16-5-4-10(14-16)8-18-12-13-6-11(7-17)15(12)3/h4-6,9,17H,7-8H2,1-3H3
InChIKeyHSYIUIONWUPYRM-UHFFFAOYSA-N
XLogP1.98
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol (CID 66149021) is [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol is CC(C)n1ccc(CSc2ncc(CO)n2C)n1.
What is the InChIKey of [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is HSYIUIONWUPYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-9(2)16-5-4-10(14-16)8-18-12-13-6-11(7-17)15(12)3/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 266.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66149021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).