1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol

C17H24N2O2S — CID 110879353

IUPAC1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
SMILESCc1[nH]c(SCC(O)COC(C)C)nc1Cc1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-12(2)21-10-15(20)11-22-17-18-13(3)16(19-17)9-14-7-5-4-6-8-14/h4-8,12,15,20H,9-11H2,1-3H3,(H,18,19)
InChIKeyIWHFKVPMZRYDRG-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.19
Rot. Bonds8

About 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol

1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol (PubChem CID 110879353) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
PubChem CID110879353
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
SMILESCc1[nH]c(SCC(O)COC(C)C)nc1Cc1ccccc1
InChIInChI=1S/C17H24N2O2S/c1-12(2)21-10-15(20)11-22-17-18-13(3)16(19-17)9-14-7-5-4-6-8-14/h4-8,12,15,20H,9-11H2,1-3H3,(H,18,19)
InChIKeyIWHFKVPMZRYDRG-UHFFFAOYSA-N
XLogP3.19
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42982161
4-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1H-imidazole
CID 7250899
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672
5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 39603819
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 7250927
4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 31405143
4-benzyl-2-(2,2-diethoxyethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 135483794
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 17405667
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 40524641
4-benzyl-2-(2,2-dimethoxyethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 135461833
1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 60670681

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol (CID 110879353) is 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol is Cc1[nH]c(SCC(O)COC(C)C)nc1Cc1ccccc1.
What is the InChIKey of 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is IWHFKVPMZRYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(2)21-10-15(20)11-22-17-18-13(3)16(19-17)9-14-7-5-4-6-8-14/h4-8,12,15,20H,9-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 320.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 110879353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).