2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole

C16H12Cl2N2 — CID 141255839

IUPAC2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole
SMILESClc1cccc(Cc2ncc(-c3ccccc3)[nH]2)c1Cl
InChIInChI=1S/C16H12Cl2N2/c17-13-8-4-7-12(16(13)18)9-15-19-10-14(20-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,20)
InChIKeyVDJSIYRYAZVKSI-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.97
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole

2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole (PubChem CID 141255839) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole
PubChem CID141255839
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole
SMILESClc1cccc(Cc2ncc(-c3ccccc3)[nH]2)c1Cl
InChIInChI=1S/C16H12Cl2N2/c17-13-8-4-7-12(16(13)18)9-15-19-10-14(20-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,20)
InChIKeyVDJSIYRYAZVKSI-UHFFFAOYSA-N
XLogP4.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole (CID 141255839) is 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole is Clc1cccc(Cc2ncc(-c3ccccc3)[nH]2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole?
The InChIKey is VDJSIYRYAZVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c17-13-8-4-7-12(16(13)18)9-15-19-10-14(20-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,20).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole?
2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole has a molecular weight of 303.19 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 141255839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).