1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride

C16H15Cl3N2OS — CID 21393926

IUPAC1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
SMILESCl.Clc1ccc(C(Cn2ccnc2)OCc2cccs2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2OS.ClH/c17-12-3-4-14(15(18)8-12)16(9-20-6-5-19-11-20)21-10-13-2-1-7-22-13;/h1-8,11,16H,9-10H2;1H
InChIKeyLCMUDCRKCVWVQB-UHFFFAOYSA-N
MW389.74 g/mol
LogP5.63
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride

1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride (PubChem CID 21393926) has the molecular formula C16H15Cl3N2OS and a molecular weight of 389.74 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
PubChem CID21393926
Molecular FormulaC16H15Cl3N2OS
Molecular Weight389.74 g/mol
Exact Mass388.00
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
SMILESCl.Clc1ccc(C(Cn2ccnc2)OCc2cccs2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2OS.ClH/c17-12-3-4-14(15(18)8-12)16(9-20-6-5-19-11-20)21-10-13-2-1-7-22-13;/h1-8,11,16H,9-10H2;1H
InChIKeyLCMUDCRKCVWVQB-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.74
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole
CID 158704570
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
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
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride (CID 21393926) is 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride is Cl.Clc1ccc(C(Cn2ccnc2)OCc2cccs2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride?
The InChIKey is LCMUDCRKCVWVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS.ClH/c17-12-3-4-14(15(18)8-12)16(9-20-6-5-19-11-20)21-10-13-2-1-7-22-13;/h1-8,11,16H,9-10H2;1H.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride?
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride has a molecular weight of 389.74 g/mol, XLogP of 5.63, 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-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 21393926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).