2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

C20H15Cl3N2OS — CID 67212984

IUPAC2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
SMILESClc1ccc(C(Cc2ncc[nH]2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2OS/c21-13-4-5-15(17(23)8-13)18(9-19-24-6-7-25-19)26-10-12-11-27-20-14(12)2-1-3-16(20)22/h1-8,11,18H,9-10H2,(H,24,25)
InChIKeyROAYEOIIQOOQIV-UHFFFAOYSA-N
MW437.78 g/mol
LogP7.09
Rot. Bonds6

About 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole (PubChem CID 67212984) has the molecular formula C20H15Cl3N2OS and a molecular weight of 437.78 g/mol. Its IUPAC name is 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
PubChem CID67212984
Molecular FormulaC20H15Cl3N2OS
Molecular Weight437.78 g/mol
Exact Mass436.00
IUPAC Name2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
SMILESClc1ccc(C(Cc2ncc[nH]2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2OS/c21-13-4-5-15(17(23)8-13)18(9-19-24-6-7-25-19)26-10-12-11-27-20-14(12)2-1-3-16(20)22/h1-8,11,18H,9-10H2,(H,24,25)
InChIKeyROAYEOIIQOOQIV-UHFFFAOYSA-N
XLogP7.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole
CID 158704570
2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181536
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 156596799
2-[2-bromo-2-(4-bromo-2-chlorophenyl)ethyl]-1H-imidazole
CID 61095782
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-(2-chlorophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 22324903
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine;hydrochloride
CID 175674542
(7-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155978335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole (CID 67212984) is 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole is Clc1ccc(C(Cc2ncc[nH]2)OCc2csc3c(Cl)cccc23)c(Cl)c1.
What is the InChIKey of 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
The InChIKey is ROAYEOIIQOOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2OS/c21-13-4-5-15(17(23)8-13)18(9-19-24-6-7-25-19)26-10-12-11-27-20-14(12)2-1-3-16(20)22/h1-8,11,18H,9-10H2,(H,24,25).
What are the key properties of 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole has a molecular weight of 437.78 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 67212984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).