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

C20H15Cl3N2OS — CID 6604451

IUPAC1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1
InChIKeyJLGKQTAYUIMGRK-IBGZPJMESA-N
MW437.78 g/mol
LogP7.02
Rot. Bonds6

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

1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 6604451) has the molecular formula C20H15Cl3N2OS and a molecular weight of 437.78 g/mol. Its IUPAC name is 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID6604451
Molecular FormulaC20H15Cl3N2OS
Molecular Weight437.78 g/mol
Exact Mass436.00
IUPAC Name1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChIInChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1
InChIKeyJLGKQTAYUIMGRK-IBGZPJMESA-N
XLogP7.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

Tioconazole
CID 5482
Sertaconazole
CID 65863
Sertaconazole Nitrate
CID 200103
Fenticonazole
CID 51755
Tioconazole, (R)-
CID 28125518
1-(((2R,3R)-3-(2,4-dichlorobenzyloxy)-5-fluoro-2,3-dihydrobenzo[b]thiophen-2-yl)methyl)-1H-imidazole
CID 10341436
1-[(2R,3R)-3-(3,4-Dichloro-benzyloxy)-5-fluoro-2,3-dihydro-benzo[b]thiophen-2-ylmethyl]-1H-imidazole
CID 10549461
1-[5-Chloro-3-(2,4-dichloro-benzyloxy)-2,3-dihydro-benzo[b]thiophen-2-ylmethyl]-1H-imidazole
CID 10598485
1-[2-(1-Benzothiophen-2-ylmethoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 13642626
1H-Imidazole, 1-(2-(3-((4-chlorophenyl)thio)propoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
CID 3054935
1H-Imidazole, 1-(2-(4-((4-chlorophenyl)thio)butoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate
CID 3054943
Tioconazole, (S)-
CID 25273638

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 6604451) is 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.
What is the InChIKey of 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is JLGKQTAYUIMGRK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 437.78 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 6604451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).