5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole

C20H20Cl2N2O — CID 70584961

IUPAC5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CC(C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)[nH]1
InChIInChI=1S/C20H20Cl2N2O/c1-13(10-17-12-23-14(2)24-17)9-15-3-6-18(7-4-15)25-20-8-5-16(21)11-19(20)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyJPMZXMBQKDNGMS-UHFFFAOYSA-N
MW375.30 g/mol
LogP6.24
Rot. Bonds6

About 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole

5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole (PubChem CID 70584961) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole
PubChem CID70584961
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CC(C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)[nH]1
InChIInChI=1S/C20H20Cl2N2O/c1-13(10-17-12-23-14(2)24-17)9-15-3-6-18(7-4-15)25-20-8-5-16(21)11-19(20)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyJPMZXMBQKDNGMS-UHFFFAOYSA-N
XLogP6.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole (CID 70584961) is 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole is Cc1ncc(CC(C)Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)[nH]1.
What is the InChIKey of 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole?
The InChIKey is JPMZXMBQKDNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-13(10-17-12-23-14(2)24-17)9-15-3-6-18(7-4-15)25-20-8-5-16(21)11-19(20)22/h3-8,11-13H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole?
5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole has a molecular weight of 375.30 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylpropyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 70584961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).