2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol

C13H16N2OS — CID 66153230

IUPAC2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol
SMILESCCCn1cncc1CSc1ccccc1O
InChIInChI=1S/C13H16N2OS/c1-2-7-15-10-14-8-11(15)9-17-13-6-4-3-5-12(13)16/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyZZANAWNDHAJURH-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.29
Rot. Bonds5

About 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol

2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol (PubChem CID 66153230) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol
PubChem CID66153230
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol
SMILESCCCn1cncc1CSc1ccccc1O
InChIInChI=1S/C13H16N2OS/c1-2-7-15-10-14-8-11(15)9-17-13-6-4-3-5-12(13)16/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyZZANAWNDHAJURH-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79133368
1-[4-[(3-propylimidazol-4-yl)methylsulfanyl]phenyl]ethanone
CID 66154590
3-methoxy-4-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79830262
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
2-fluoro-4-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79141562
N-[4-[(3-propylimidazol-4-yl)methylsulfanyl]phenyl]formamide
CID 146247114
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 66155150
2-[(3-ethylimidazol-4-yl)methylsulfanyl]-5-methylaniline
CID 66154918

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol (CID 66153230) is 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol is CCCn1cncc1CSc1ccccc1O.
What is the InChIKey of 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol?
The InChIKey is ZZANAWNDHAJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-7-15-10-14-8-11(15)9-17-13-6-4-3-5-12(13)16/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol?
2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol is sourced from PubChem (CID 66153230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).