2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol

C14H18N2OS — CID 47024738

IUPAC2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
SMILESCC(C)c1ccccc1-n1ccnc1SCCO
InChIInChI=1S/C14H18N2OS/c1-11(2)12-5-3-4-6-13(12)16-8-7-15-14(16)18-10-9-17/h3-8,11,17H,9-10H2,1-2H3
InChIKeyJVAIBRZNCQHRMT-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.08
Rot. Bonds5

About 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol

2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol (PubChem CID 47024738) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
PubChem CID47024738
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
SMILESCC(C)c1ccccc1-n1ccnc1SCCO
InChIInChI=1S/C14H18N2OS/c1-11(2)12-5-3-4-6-13(12)16-8-7-15-14(16)18-10-9-17/h3-8,11,17H,9-10H2,1-2H3
InChIKeyJVAIBRZNCQHRMT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
CID 134010501
1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
CID 43018705
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole
CID 60560207
2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37174877
2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol
CID 82129265
2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide
CID 24606157
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24578264
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 24527625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol?
The IUPAC name of 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol (CID 47024738) is 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol?
The canonical SMILES for 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol is CC(C)c1ccccc1-n1ccnc1SCCO.
What is the InChIKey of 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol?
The InChIKey is JVAIBRZNCQHRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(2)12-5-3-4-6-13(12)16-8-7-15-14(16)18-10-9-17/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol?
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol has a molecular weight of 262.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol is sourced from PubChem (CID 47024738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).