[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol

C13H12Cl2N2OS — CID 70583033

IUPAC[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
SMILESOCSCC(=Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2OS/c14-11-1-2-12(13(15)5-11)10(7-19-9-18)6-17-4-3-16-8-17/h1-6,8,18H,7,9H2
InChIKeyDQZJSTNRZZQVGA-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.87
Rot. Bonds5

About [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol

[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol (PubChem CID 70583033) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
PubChem CID70583033
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
SMILESOCSCC(=Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2OS/c14-11-1-2-12(13(15)5-11)10(7-19-9-18)6-17-4-3-16-8-17/h1-6,8,18H,7,9H2
InChIKeyDQZJSTNRZZQVGA-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70462372
5-chloro-2-[2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenoxy]ethylsulfanyl]pyridine
CID 54056354
1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 3033986
1-[(Z)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 10250981
1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 54027975
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenyl] 4-chlorobenzoate
CID 4991198
1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid
CID 70462656
1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
CID 70500879
1-[2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 70582230
1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 3038103
1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 54273671

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol?
The IUPAC name of [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol (CID 70583033) is [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol?
The canonical SMILES for [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol is OCSCC(=Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol?
The InChIKey is DQZJSTNRZZQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c14-11-1-2-12(13(15)5-11)10(7-19-9-18)6-17-4-3-16-8-17/h1-6,8,18H,7,9H2.
What are the key properties of [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol?
[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol has a molecular weight of 315.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol is sourced from PubChem (CID 70583033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).