3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol

C10H18N2OS — CID 63976697

IUPAC3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol
SMILESCCCn1ccnc1C(O)CCSC
InChIInChI=1S/C10H18N2OS/c1-3-6-12-7-5-11-10(12)9(13)4-8-14-2/h5,7,9,13H,3-4,6,8H2,1-2H3
InChIKeyUEXPWEOGULLTOC-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.08
Rot. Bonds6

About 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol

3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol (PubChem CID 63976697) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol
PubChem CID63976697
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol
SMILESCCCn1ccnc1C(O)CCSC
InChIInChI=1S/C10H18N2OS/c1-3-6-12-7-5-11-10(12)9(13)4-8-14-2/h5,7,9,13H,3-4,6,8H2,1-2H3
InChIKeyUEXPWEOGULLTOC-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
1-Butyl-2-hydroxymethylimidazole
CID 579275
2-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)ethan-1-ol
CID 43502621
2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 21589488
1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 21784237
1-(1-ethyl-1H-imidazol-2-yl)ethan-1-ol
CID 23564054
(1S)-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 81681206
(2S)-2-(1'-methyl-1H,1'H-2,2'-biimidazol-1-yl)-4-(methylthio)butan-1-ol
CID 56861042
(1-Propyl-1H-imidazol-2-yl)methanol
CID 557333
(2R)-1-(2-methylimidazol-1-yl)propan-2-ol
CID 98111933
2,2-Dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol (CID 63976697) is 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol is CCCn1ccnc1C(O)CCSC.
What is the InChIKey of 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol?
The InChIKey is UEXPWEOGULLTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-6-12-7-5-11-10(12)9(13)4-8-14-2/h5,7,9,13H,3-4,6,8H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol?
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 63976697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).