1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole

C20H21ClN2O — CID 70525045

IUPAC1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole
SMILESCc1nccn1CC(C)Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O/c1-15(14-23-12-11-22-16(23)2)13-17-3-7-19(8-4-17)24-20-9-5-18(21)6-10-20/h3-12,15H,13-14H2,1-2H3
InChIKeyPPFIGMZBCHMHIJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.52
Rot. Bonds6

About 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole

1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole (PubChem CID 70525045) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole
PubChem CID70525045
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole
SMILESCc1nccn1CC(C)Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O/c1-15(14-23-12-11-22-16(23)2)13-17-3-7-19(8-4-17)24-20-9-5-18(21)6-10-20/h3-12,15H,13-14H2,1-2H3
InChIKeyPPFIGMZBCHMHIJ-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole?
The IUPAC name of 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole (CID 70525045) is 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole?
The canonical SMILES for 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole is Cc1nccn1CC(C)Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole?
The InChIKey is PPFIGMZBCHMHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-15(14-23-12-11-22-16(23)2)13-17-3-7-19(8-4-17)24-20-9-5-18(21)6-10-20/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole?
1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole has a molecular weight of 340.85 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole is sourced from PubChem (CID 70525045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).