1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol

C14H18N2OS — CID 79752865

IUPAC1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
SMILESCCn1ccnc1CC(O)CSc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-16-9-8-15-14(16)10-12(17)11-18-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3
InChIKeyMPIQPDKQCZRVLM-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.60
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol

1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol (PubChem CID 79752865) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
PubChem CID79752865
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
SMILESCCn1ccnc1CC(O)CSc1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-16-9-8-15-14(16)10-12(17)11-18-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3
InChIKeyMPIQPDKQCZRVLM-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-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

1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79752637
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760889
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
1-(3-chlorophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760892
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 79752662
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol (CID 79752865) is 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol is CCn1ccnc1CC(O)CSc1ccccc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is MPIQPDKQCZRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-16-9-8-15-14(16)10-12(17)11-18-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol?
1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 262.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 79752865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).