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

C21H18Cl2N2OS — CID 158704570

IUPAC1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole
SMILESCc1cccc2c(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)csc12
InChIInChI=1S/C21H18Cl2N2OS/c1-14-3-2-4-17-15(12-27-21(14)17)11-26-20(10-25-8-7-24-13-25)18-6-5-16(22)9-19(18)23/h2-9,12-13,20H,10-11H2,1H3
InChIKeyIHYMEVPVKFZZLW-UHFFFAOYSA-N
MW417.36 g/mol
LogP6.67
Rot. Bonds6

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

1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole (PubChem CID 158704570) has the molecular formula C21H18Cl2N2OS and a molecular weight of 417.36 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole
PubChem CID158704570
Molecular FormulaC21H18Cl2N2OS
Molecular Weight417.36 g/mol
Exact Mass416.05
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole
SMILESCc1cccc2c(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)csc12
InChIInChI=1S/C21H18Cl2N2OS/c1-14-3-2-4-17-15(12-27-21(14)17)11-26-20(10-25-8-7-24-13-25)18-6-5-16(22)9-19(18)23/h2-9,12-13,20H,10-11H2,1H3
InChIKeyIHYMEVPVKFZZLW-UHFFFAOYSA-N
XLogP6.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
CID 18615661
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
CID 21393926
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
CID 67212984
1-[2-[(5,7-dichloro-1-benzofuran-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 70500005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole (CID 158704570) is 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole is Cc1cccc2c(COC(Cn3ccnc3)c3ccc(Cl)cc3Cl)csc12.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole?
The InChIKey is IHYMEVPVKFZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2OS/c1-14-3-2-4-17-15(12-27-21(14)17)11-26-20(10-25-8-7-24-13-25)18-6-5-16(22)9-19(18)23/h2-9,12-13,20H,10-11H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole has a molecular weight of 417.36 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole is sourced from PubChem (CID 158704570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).