1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole

C18H15BrCl2N2O2S — CID 54273671

IUPAC1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
SMILESClc1ccc(C(=Cn2ccnc2)OCCOCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C18H15BrCl2N2O2S/c19-18-4-2-14(26-18)11-24-7-8-25-17(10-23-6-5-22-12-23)15-3-1-13(20)9-16(15)21/h1-6,9-10,12H,7-8,11H2
InChIKeyRLXDCPZXLZRFSE-UHFFFAOYSA-N
MW474.21 g/mol
LogP6.20
Rot. Bonds8

About 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole

1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole (PubChem CID 54273671) has the molecular formula C18H15BrCl2N2O2S and a molecular weight of 474.21 g/mol. Its IUPAC name is 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
PubChem CID54273671
Molecular FormulaC18H15BrCl2N2O2S
Molecular Weight474.21 g/mol
Exact Mass471.94
IUPAC Name1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
SMILESClc1ccc(C(=Cn2ccnc2)OCCOCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C18H15BrCl2N2O2S/c19-18-4-2-14(26-18)11-24-7-8-25-17(10-23-6-5-22-12-23)15-3-1-13(20)9-16(15)21/h1-6,9-10,12H,7-8,11H2
InChIKeyRLXDCPZXLZRFSE-UHFFFAOYSA-N
XLogP6.20
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.21
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The IUPAC name of 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole (CID 54273671) is 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The canonical SMILES for 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is Clc1ccc(C(=Cn2ccnc2)OCCOCc2ccc(Br)s2)c(Cl)c1.
What is the InChIKey of 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The InChIKey is RLXDCPZXLZRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2N2O2S/c19-18-4-2-14(26-18)11-24-7-8-25-17(10-23-6-5-22-12-23)15-3-1-13(20)9-16(15)21/h1-6,9-10,12H,7-8,11H2.
What are the key properties of 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole has a molecular weight of 474.21 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is sourced from PubChem (CID 54273671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).