1-benzyl-4,5-dichloroimidazole

C10H8Cl2N2 — CID 561437

IUPAC1-benzyl-4,5-dichloroimidazole
SMILESClc1ncn(Cc2ccccc2)c1Cl
InChIInChI=1S/C10H8Cl2N2/c11-9-10(12)14(7-13-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyJSBXMVHZAMSFPF-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.24
Rot. Bonds2

About 1-benzyl-4,5-dichloroimidazole

1-benzyl-4,5-dichloroimidazole (PubChem CID 561437) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 1-benzyl-4,5-dichloroimidazole.

Molecular Properties

Compound Name1-benzyl-4,5-dichloroimidazole
PubChem CID561437
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name1-benzyl-4,5-dichloroimidazole
SMILESClc1ncn(Cc2ccccc2)c1Cl
InChIInChI=1S/C10H8Cl2N2/c11-9-10(12)14(7-13-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyJSBXMVHZAMSFPF-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dichloroimidazole?
The IUPAC name of 1-benzyl-4,5-dichloroimidazole (CID 561437) is 1-benzyl-4,5-dichloroimidazole.
What is the SMILES notation for 1-benzyl-4,5-dichloroimidazole?
The canonical SMILES for 1-benzyl-4,5-dichloroimidazole is Clc1ncn(Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-4,5-dichloroimidazole?
The InChIKey is JSBXMVHZAMSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c11-9-10(12)14(7-13-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 1-benzyl-4,5-dichloroimidazole?
1-benzyl-4,5-dichloroimidazole has a molecular weight of 227.09 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dichloroimidazole is sourced from PubChem (CID 561437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).