[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione

C14H14Cl2N2O2S — CID 88824443

IUPAC[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione
SMILESCCOC(=S)OC(c1ccc(Cl)cc1)C(Cl)n1ccnc1
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-19-14(21)20-12(10-3-5-11(15)6-4-10)13(16)18-8-7-17-9-18/h3-9,12-13H,2H2,1H3
InChIKeyVZVBIBMFFAPJLH-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.35
Rot. Bonds5

About [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione

[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione (PubChem CID 88824443) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione.

Molecular Properties

Compound Name[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione
PubChem CID88824443
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione
SMILESCCOC(=S)OC(c1ccc(Cl)cc1)C(Cl)n1ccnc1
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-19-14(21)20-12(10-3-5-11(15)6-4-10)13(16)18-8-7-17-9-18/h3-9,12-13H,2H2,1H3
InChIKeyVZVBIBMFFAPJLH-UHFFFAOYSA-N
XLogP4.35
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-[(4-methylphenyl)methyl] [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 88824618
O-hexyl [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 88824541
propan-2-yl [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylformate
CID 88823445
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] pentanedithioate;nitric acid
CID 88824801
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-phenylethanedithioate
CID 88825112
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 4-fluorobenzenecarbodithioate
CID 88824377
1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole
CID 70501168
1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
CID 70484994
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-sulfanylpropanethioate
CID 88824708
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)ethanethioate
CID 88823868
1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
1-[1-chloro-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(4-chlorophenyl)ethyl]imidazole;nitric acid
CID 67617579

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione?
The IUPAC name of [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione (CID 88824443) is [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione.
What is the SMILES notation for [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione?
The canonical SMILES for [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione is CCOC(=S)OC(c1ccc(Cl)cc1)C(Cl)n1ccnc1.
What is the InChIKey of [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione?
The InChIKey is VZVBIBMFFAPJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-2-19-14(21)20-12(10-3-5-11(15)6-4-10)13(16)18-8-7-17-9-18/h3-9,12-13H,2H2,1H3.
What are the key properties of [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione?
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione has a molecular weight of 345.25 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione is sourced from PubChem (CID 88824443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).