2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole

C16H12Cl2N2 — CID 23103031

IUPAC2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2cc(Cl)cc(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C16H12Cl2N2/c1-10-15(11-5-3-2-4-6-11)20-16(19-10)12-7-13(17)9-14(18)8-12/h2-9H,1H3,(H,19,20)
InChIKeyZQKYGKCLSAXVEA-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.36
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole

2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole (PubChem CID 23103031) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
PubChem CID23103031
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2cc(Cl)cc(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C16H12Cl2N2/c1-10-15(11-5-3-2-4-6-11)20-16(19-10)12-7-13(17)9-14(18)8-12/h2-9H,1H3,(H,19,20)
InChIKeyZQKYGKCLSAXVEA-UHFFFAOYSA-N
XLogP5.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole (CID 23103031) is 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole is Cc1[nH]c(-c2cc(Cl)cc(Cl)c2)nc1-c1ccccc1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is ZQKYGKCLSAXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-10-15(11-5-3-2-4-6-11)20-16(19-10)12-7-13(17)9-14(18)8-12/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole?
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole has a molecular weight of 303.19 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 23103031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).