1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole

C16H15ClN2S — CID 57234368

IUPAC1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole
SMILESCc1cnc(C)n1Cc1ccc(-c2cccs2)cc1Cl
InChIInChI=1S/C16H15ClN2S/c1-11-9-18-12(2)19(11)10-14-6-5-13(8-15(14)17)16-4-3-7-20-16/h3-9H,10H2,1-2H3
InChIKeyILVHWULIMYVCHH-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.93
Rot. Bonds3

About 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole

1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole (PubChem CID 57234368) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole
PubChem CID57234368
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole
SMILESCc1cnc(C)n1Cc1ccc(-c2cccs2)cc1Cl
InChIInChI=1S/C16H15ClN2S/c1-11-9-18-12(2)19(11)10-14-6-5-13(8-15(14)17)16-4-3-7-20-16/h3-9H,10H2,1-2H3
InChIKeyILVHWULIMYVCHH-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole?
The IUPAC name of 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole (CID 57234368) is 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole.
What is the SMILES notation for 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole?
The canonical SMILES for 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole is Cc1cnc(C)n1Cc1ccc(-c2cccs2)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole?
The InChIKey is ILVHWULIMYVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11-9-18-12(2)19(11)10-14-6-5-13(8-15(14)17)16-4-3-7-20-16/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole?
1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole has a molecular weight of 302.83 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole is sourced from PubChem (CID 57234368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).