2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol

C15H16Cl2N2OS — CID 70417205

IUPAC2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol
SMILESC=CCSCC(O)(Cn1ccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2OS/c1-2-8-21-10-15(20,9-19-7-6-18-11-19)12-4-3-5-13(16)14(12)17/h2-7,11,20H,1,8-10H2
InChIKeyDGFCFGSERYFNBE-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.00
Rot. Bonds7

About 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol

2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol (PubChem CID 70417205) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol
PubChem CID70417205
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol
SMILESC=CCSCC(O)(Cn1ccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2OS/c1-2-8-21-10-15(20,9-19-7-6-18-11-19)12-4-3-5-13(16)14(12)17/h2-7,11,20H,1,8-10H2
InChIKeyDGFCFGSERYFNBE-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 24839002
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
2-(4-fluorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
CID 12771346
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 3068301
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole
CID 71193176

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol (CID 70417205) is 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol is C=CCSCC(O)(Cn1ccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol?
The InChIKey is DGFCFGSERYFNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-2-8-21-10-15(20,9-19-7-6-18-11-19)12-4-3-5-13(16)14(12)17/h2-7,11,20H,1,8-10H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol?
2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol has a molecular weight of 343.28 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol is sourced from PubChem (CID 70417205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).