1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole

C16H14Cl2N2S — CID 174425441

IUPAC1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole
SMILESCc1nccn1CCc1ccc(-c2ccc(Cl)s2)cc1Cl
InChIInChI=1S/C16H14Cl2N2S/c1-11-19-7-9-20(11)8-6-12-2-3-13(10-14(12)17)15-4-5-16(18)21-15/h2-5,7,9-10H,6,8H2,1H3
InChIKeyYNEDMKOFCBLYQC-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.47
Rot. Bonds4

About 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole

1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole (PubChem CID 174425441) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole
PubChem CID174425441
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC Name1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole
SMILESCc1nccn1CCc1ccc(-c2ccc(Cl)s2)cc1Cl
InChIInChI=1S/C16H14Cl2N2S/c1-11-19-7-9-20(11)8-6-12-2-3-13(10-14(12)17)15-4-5-16(18)21-15/h2-5,7,9-10H,6,8H2,1H3
InChIKeyYNEDMKOFCBLYQC-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
1-[(2-chloro-4-methylsulfonylphenyl)methyl]-2-methylimidazole
CID 57245144
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122490
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
3-chloro-4-[(2-methylimidazol-1-yl)methyl]benzonitrile
CID 57314606
1-[(2-chloro-4-ethenylphenyl)methyl]-2-methylimidazole
CID 57323140
1-[[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]methyl]-2-methyl-4-[pentyl(sulfinato)carbamoyl]imidazole
CID 174435702
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine
CID 67806986
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
CID 84818101

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole?
The IUPAC name of 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole (CID 174425441) is 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole is Cc1nccn1CCc1ccc(-c2ccc(Cl)s2)cc1Cl.
What is the InChIKey of 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole?
The InChIKey is YNEDMKOFCBLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c1-11-19-7-9-20(11)8-6-12-2-3-13(10-14(12)17)15-4-5-16(18)21-15/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole?
1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole has a molecular weight of 337.28 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-4-(5-chlorothiophen-2-yl)phenyl]ethyl]-2-methylimidazole is sourced from PubChem (CID 174425441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).