3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol

C10H18N2OS — CID 107771342

IUPAC3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCCc1nccn1C
InChIInChI=1S/C10H18N2OS/c1-8(13)9(2)14-7-4-10-11-5-6-12(10)3/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyBYXQORFQXCHZQI-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.47
Rot. Bonds5

About 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol

3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol (PubChem CID 107771342) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol
PubChem CID107771342
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCCc1nccn1C
InChIInChI=1S/C10H18N2OS/c1-8(13)9(2)14-7-4-10-11-5-6-12(10)3/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyBYXQORFQXCHZQI-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-1-amine
CID 114528188
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
2-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butanoic acid
CID 105353121
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
2-butyl-1-methylimidazole;fluoroform
CID 162050255
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
azane;1-methyl-2-propylimidazole
CID 174525892

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol (CID 107771342) is 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol is CC(O)C(C)SCCc1nccn1C.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol?
The InChIKey is BYXQORFQXCHZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(13)9(2)14-7-4-10-11-5-6-12(10)3/h5-6,8-9,13H,4,7H2,1-3H3.
What are the key properties of 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol?
3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-2-ol is sourced from PubChem (CID 107771342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).