2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole

C19H15Cl3N2OS — CID 20523176

IUPAC2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole
SMILESClc1ccc(COC2(Cc3ncc[nH]3)CSc3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C19H15Cl3N2OS/c20-13-2-1-12(16(22)7-13)10-25-19(9-18-23-5-6-24-18)11-26-17-8-14(21)3-4-15(17)19/h1-8H,9-11H2,(H,23,24)
InChIKeyLEYWRHKSQNZNHR-UHFFFAOYSA-N
MW425.77 g/mol
LogP6.13
Rot. Bonds5

About 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole

2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole (PubChem CID 20523176) has the molecular formula C19H15Cl3N2OS and a molecular weight of 425.77 g/mol. Its IUPAC name is 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole
PubChem CID20523176
Molecular FormulaC19H15Cl3N2OS
Molecular Weight425.77 g/mol
Exact Mass424.00
IUPAC Name2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole
SMILESClc1ccc(COC2(Cc3ncc[nH]3)CSc3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C19H15Cl3N2OS/c20-13-2-1-12(16(22)7-13)10-25-19(9-18-23-5-6-24-18)11-26-17-8-14(21)3-4-15(17)19/h1-8H,9-11H2,(H,23,24)
InChIKeyLEYWRHKSQNZNHR-UHFFFAOYSA-N
XLogP6.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.77
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole with MolForge

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Related Compounds

2-[[(2S,3S)-3-[(2,4-dichlorophenyl)methoxy]-6-fluoro-2,3-dihydro-1-benzothiophen-2-yl]methyl]-1H-imidazole
CID 22821753
[2-(2,4-dichlorophenyl)-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 88665031
N'-[2-[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-4-yl]-4-methoxyphenyl]methanimidamide
CID 70539497
1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001121
2-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
CID 67212984
2-[(4-chloro-2-thiophen-2-ylphenyl)methyl]-1H-imidazole
CID 91127273
4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
CID 166089342
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
2-[1-[(4-bromophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
CID 54352668
4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 70098454
2-[[(2S,3S)-3-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzothiophen-2-yl]methyl]-1H-imidazole
CID 22821699
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole?
The IUPAC name of 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole (CID 20523176) is 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole is Clc1ccc(COC2(Cc3ncc[nH]3)CSc3cc(Cl)ccc32)c(Cl)c1.
What is the InChIKey of 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole?
The InChIKey is LEYWRHKSQNZNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2OS/c20-13-2-1-12(16(22)7-13)10-25-19(9-18-23-5-6-24-18)11-26-17-8-14(21)3-4-15(17)19/h1-8H,9-11H2,(H,23,24).
What are the key properties of 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole?
2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole has a molecular weight of 425.77 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2H-1-benzothiophen-3-yl]methyl]-1H-imidazole is sourced from PubChem (CID 20523176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).