1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole

C17H14Cl2N2 — CID 45112125

IUPAC1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2nc(Cl)c(Cl)n2Cc2ccccc2)cc1
InChIInChI=1S/C17H14Cl2N2/c1-12-7-9-14(10-8-12)17-20-15(18)16(19)21(17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyAOQSIKYEQUCHPW-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.21
Rot. Bonds3

About 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole

1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole (PubChem CID 45112125) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
PubChem CID45112125
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2nc(Cl)c(Cl)n2Cc2ccccc2)cc1
InChIInChI=1S/C17H14Cl2N2/c1-12-7-9-14(10-8-12)17-20-15(18)16(19)21(17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyAOQSIKYEQUCHPW-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.21
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-dichloro-2-(4-methylphenyl)imidazole?
The IUPAC name of 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole (CID 45112125) is 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole.
What is the SMILES notation for 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole?
The canonical SMILES for 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole is Cc1ccc(-c2nc(Cl)c(Cl)n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole?
The InChIKey is AOQSIKYEQUCHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-12-7-9-14(10-8-12)17-20-15(18)16(19)21(17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole?
1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole has a molecular weight of 317.22 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole is sourced from PubChem (CID 45112125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).