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

C17H12Cl4N2 — CID 91176392

IUPAC4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole
SMILESCc1[nH]c(Cc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl4N2/c1-9-17(14-3-2-11(18)8-15(14)21)23-16(22-9)6-10-4-12(19)7-13(20)5-10/h2-5,7-8H,6H2,1H3,(H,22,23)
InChIKeyPMMLGBIKTFXXLX-UHFFFAOYSA-N
MW386.11 g/mol
LogP6.59
Rot. Bonds3

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

4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole (PubChem CID 91176392) has the molecular formula C17H12Cl4N2 and a molecular weight of 386.11 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole
PubChem CID91176392
Molecular FormulaC17H12Cl4N2
Molecular Weight386.11 g/mol
Exact Mass383.98
IUPAC Name4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole
SMILESCc1[nH]c(Cc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl4N2/c1-9-17(14-3-2-11(18)8-15(14)21)23-16(22-9)6-10-4-12(19)7-13(20)5-10/h2-5,7-8H,6H2,1H3,(H,22,23)
InChIKeyPMMLGBIKTFXXLX-UHFFFAOYSA-N
XLogP6.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.11
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole (CID 91176392) is 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole is Cc1[nH]c(Cc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
The InChIKey is PMMLGBIKTFXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2/c1-9-17(14-3-2-11(18)8-15(14)21)23-16(22-9)6-10-4-12(19)7-13(20)5-10/h2-5,7-8H,6H2,1H3,(H,22,23).
What are the key properties of 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole has a molecular weight of 386.11 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 91176392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).