1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

C32H30Cl6N4O2S2 — CID 164982391

IUPAC1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc([C@@H](Cn2ccnc2)OCC2C=CSC2Cl)c(Cl)c1.Clc1ccc([C@H](Cn2ccnc2)OCC2C=CSC2Cl)c(Cl)c1
InChIInChI=1S/2C16H15Cl3N2OS/c2*17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h2*1-7,10-11,15-16H,8-9H2/t2*11?,15-,16?/m10/s1
InChIKeyFRGQVWGCCVGCPJ-QLYZBFORSA-N
MW779.47 g/mol
LogP10.78
Rot. Bonds12

About 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 164982391) has the molecular formula C32H30Cl6N4O2S2 and a molecular weight of 779.47 g/mol. Its IUPAC name is 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID164982391
Molecular FormulaC32H30Cl6N4O2S2
Molecular Weight779.47 g/mol
Exact Mass775.99
IUPAC Name1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc([C@@H](Cn2ccnc2)OCC2C=CSC2Cl)c(Cl)c1.Clc1ccc([C@H](Cn2ccnc2)OCC2C=CSC2Cl)c(Cl)c1
InChIInChI=1S/2C16H15Cl3N2OS/c2*17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h2*1-7,10-11,15-16H,8-9H2/t2*11?,15-,16?/m10/s1
InChIKeyFRGQVWGCCVGCPJ-QLYZBFORSA-N
XLogP10.78
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.47
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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

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Related Compounds

1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
CID 18615661
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
CID 154207042
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
CID 21393926
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-[(4-bromophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054908

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 164982391) is 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is Clc1ccc([C@@H](Cn2ccnc2)OCC2C=CSC2Cl)c(Cl)c1.Clc1ccc([C@H](Cn2ccnc2)OCC2C=CSC2Cl)c(Cl)c1.
What is the InChIKey of 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is FRGQVWGCCVGCPJ-QLYZBFORSA-N. The full InChI is InChI=1S/2C16H15Cl3N2OS/c2*17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h2*1-7,10-11,15-16H,8-9H2/t2*11?,15-,16?/m10/s1.
What are the key properties of 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 779.47 g/mol, XLogP of 10.78, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 164982391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).