1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole

C18H17Cl3N2OS — CID 23457747

IUPAC1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
SMILESClc1ccc(CCC(Cn2ccnc2)OCc2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C18H17Cl3N2OS/c19-15-4-1-13(2-5-15)3-6-16(10-23-8-7-22-12-23)24-11-14-9-17(20)25-18(14)21/h1-2,4-5,7-9,12,16H,3,6,10-11H2
InChIKeyXCMNTYSZKASEER-UHFFFAOYSA-N
MW415.77 g/mol
LogP6.12
Rot. Bonds8

About 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole

1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole (PubChem CID 23457747) has the molecular formula C18H17Cl3N2OS and a molecular weight of 415.77 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
PubChem CID23457747
Molecular FormulaC18H17Cl3N2OS
Molecular Weight415.77 g/mol
Exact Mass414.01
IUPAC Name1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
SMILESClc1ccc(CCC(Cn2ccnc2)OCc2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C18H17Cl3N2OS/c19-15-4-1-13(2-5-15)3-6-16(10-23-8-7-22-12-23)24-11-14-9-17(20)25-18(14)21/h1-2,4-5,7-9,12,16H,3,6,10-11H2
InChIKeyXCMNTYSZKASEER-UHFFFAOYSA-N
XLogP6.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.77
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
CID 70638827
1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
CID 21415077
1-[4-(4-fluorophenyl)-2-octoxybutyl]imidazole
CID 21415280
4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N,N-dimethylpiperazine-1-carbothioamide
CID 54008561
1-[2-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54183538
1-[4-(4-chlorophenyl)-2-(2,3,6-trichlorophenyl)sulfanylbutyl]imidazole
CID 162180732
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
CID 70473677
4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]piperazine-1-carbothioamide
CID 54317488
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
CID 18615661
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole (CID 23457747) is 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole is Clc1ccc(CCC(Cn2ccnc2)OCc2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole?
The InChIKey is XCMNTYSZKASEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2OS/c19-15-4-1-13(2-5-15)3-6-16(10-23-8-7-22-12-23)24-11-14-9-17(20)25-18(14)21/h1-2,4-5,7-9,12,16H,3,6,10-11H2.
What are the key properties of 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole?
1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole has a molecular weight of 415.77 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole is sourced from PubChem (CID 23457747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).