1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride

C16H14Cl4N2OS — CID 18615661

IUPAC1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
SMILESCl.Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS.ClH/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19;/h1-7,10,15H,8-9H2;1H
InChIKeyUKQXXGSDDSCAHA-UHFFFAOYSA-N
MW424.18 g/mol
LogP6.28
Rot. Bonds6

About 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride

1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride (PubChem CID 18615661) has the molecular formula C16H14Cl4N2OS and a molecular weight of 424.18 g/mol. Its IUPAC name is 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
PubChem CID18615661
Molecular FormulaC16H14Cl4N2OS
Molecular Weight424.18 g/mol
Exact Mass421.96
IUPAC Name1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
SMILESCl.Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS.ClH/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19;/h1-7,10,15H,8-9H2;1H
InChIKeyUKQXXGSDDSCAHA-UHFFFAOYSA-N
XLogP6.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.18
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
CID 21393926
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 66728488
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-[(7-methyl-1-benzothiophen-3-yl)methoxy]ethyl]imidazole
CID 158704570
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
1-[2-(2,4-dichlorophenyl)-2-[dideuterio-(2,4-dichloro-3,5,6-trideuteriophenyl)methoxy]ethyl]imidazole
CID 162641937
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride (CID 18615661) is 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride is Cl.Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride?
The InChIKey is UKQXXGSDDSCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2OS.ClH/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19;/h1-7,10,15H,8-9H2;1H.
What are the key properties of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride?
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride has a molecular weight of 424.18 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 18615661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).