4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole

C9H7Cl3N2S — CID 130705880

IUPAC4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole
SMILESClCc1cn(Cc2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C9H7Cl3N2S/c10-2-7-4-14(5-13-7)3-6-1-8(11)15-9(6)12/h1,4-5H,2-3H2
InChIKeyYJEHJDYUXLNYPG-UHFFFAOYSA-N
MW281.60 g/mol
LogP4.04
Rot. Bonds3

About 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole

4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole (PubChem CID 130705880) has the molecular formula C9H7Cl3N2S and a molecular weight of 281.60 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole
PubChem CID130705880
Molecular FormulaC9H7Cl3N2S
Molecular Weight281.60 g/mol
Exact Mass279.94
IUPAC Name4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole
SMILESClCc1cn(Cc2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C9H7Cl3N2S/c10-2-7-4-14(5-13-7)3-6-1-8(11)15-9(6)12/h1,4-5H,2-3H2
InChIKeyYJEHJDYUXLNYPG-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.60
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
CID 106720781
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
4-[[4-(chloromethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106720819
4-(chloromethyl)-1-[(2,4-dinitrophenyl)methyl]imidazole
CID 106720668
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718039
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]imidazole
CID 106720874
4-(chloromethyl)-1-[(2-methyl-3-nitrophenyl)methyl]imidazole
CID 106720717
1-[(2-bromo-3-nitrophenyl)methyl]-4-(chloromethyl)imidazole
CID 114048895
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
CID 71757986
4-(bromomethyl)-1-[(4,5-dimethylthiophen-3-yl)methyl]imidazole
CID 130815479
1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
CID 106720710

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole?
The IUPAC name of 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole (CID 130705880) is 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole?
The canonical SMILES for 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole is ClCc1cn(Cc2cc(Cl)sc2Cl)cn1.
What is the InChIKey of 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole?
The InChIKey is YJEHJDYUXLNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2S/c10-2-7-4-14(5-13-7)3-6-1-8(11)15-9(6)12/h1,4-5H,2-3H2.
What are the key properties of 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole?
4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole has a molecular weight of 281.60 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole is sourced from PubChem (CID 130705880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).