2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole

C9H8Cl2N2S — CID 130657725

IUPAC2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole
SMILESClCc1nccn1Cc1csc(Cl)c1
InChIInChI=1S/C9H8Cl2N2S/c10-4-9-12-1-2-13(9)5-7-3-8(11)14-6-7/h1-3,6H,4-5H2
InChIKeySZFYFHLWCLSRII-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.39
Rot. Bonds3

About 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole

2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole (PubChem CID 130657725) has the molecular formula C9H8Cl2N2S and a molecular weight of 247.15 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole
PubChem CID130657725
Molecular FormulaC9H8Cl2N2S
Molecular Weight247.15 g/mol
Exact Mass245.98
IUPAC Name2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole
SMILESClCc1nccn1Cc1csc(Cl)c1
InChIInChI=1S/C9H8Cl2N2S/c10-4-9-12-1-2-13(9)5-7-3-8(11)14-6-7/h1-3,6H,4-5H2
InChIKeySZFYFHLWCLSRII-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.39
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-[(5-chlorothiophen-3-yl)methyl]imidazole-2-carbaldehyde
CID 131182003
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801413
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one
CID 131071044
3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one
CID 165483394
2-(chloromethyl)-1-(methoxymethyl)imidazole
CID 14316830
1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole
CID 130652067
2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 22938673
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole?
The IUPAC name of 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole (CID 130657725) is 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole is ClCc1nccn1Cc1csc(Cl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole?
The InChIKey is SZFYFHLWCLSRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S/c10-4-9-12-1-2-13(9)5-7-3-8(11)14-6-7/h1-3,6H,4-5H2.
What are the key properties of 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole?
2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole has a molecular weight of 247.15 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole is sourced from PubChem (CID 130657725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).