[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate

C19H15Cl3N2O2 — CID 21422263

IUPAC[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl3N2O2/c20-15-4-1-13(2-5-15)9-19(25)26-18(11-24-8-7-23-12-24)14-3-6-16(21)17(22)10-14/h1-8,10,12,18H,9,11H2
InChIKeyBDTLVTQDZPEFAJ-UHFFFAOYSA-N
MW409.70 g/mol
LogP5.37
Rot. Bonds6

About [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate

[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate (PubChem CID 21422263) has the molecular formula C19H15Cl3N2O2 and a molecular weight of 409.70 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate
PubChem CID21422263
Molecular FormulaC19H15Cl3N2O2
Molecular Weight409.70 g/mol
Exact Mass408.02
IUPAC Name[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl3N2O2/c20-15-4-1-13(2-5-15)9-19(25)26-18(11-24-8-7-23-12-24)14-3-6-16(21)17(22)10-14/h1-8,10,12,18H,9,11H2
InChIKeyBDTLVTQDZPEFAJ-UHFFFAOYSA-N
XLogP5.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanoate
CID 21422355
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347
S-[2-imidazol-1-yl-1-(2,4,6-trichlorophenyl)ethyl] 2-(4-chlorophenyl)ethanethioate
CID 21422308
1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
CID 156700970
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
(3S)-3-(3,4-dichlorophenyl)-4-imidazol-1-ylbutanal
CID 54433379
[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanyl-propoxysulfanylmethanone
CID 21420967
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate (CID 21422263) is [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is BDTLVTQDZPEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O2/c20-15-4-1-13(2-5-15)9-19(25)26-18(11-24-8-7-23-12-24)14-3-6-16(21)17(22)10-14/h1-8,10,12,18H,9,11H2.
What are the key properties of [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate?
[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 409.70 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 21422263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).