4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline

C28H22Cl2FN3O — CID 46908553

IUPAC4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(COc2ccnc3ccccc23)n1-c1ccc(F)cc1
InChIInChI=1S/C28H22Cl2FN3O/c1-28(2,18-7-12-22(29)23(30)15-18)26-16-33-27(34(26)20-10-8-19(31)9-11-20)17-35-25-13-14-32-24-6-4-3-5-21(24)25/h3-16H,17H2,1-2H3
InChIKeyDKQNRQMGVJOQFH-UHFFFAOYSA-N
MW506.41 g/mol
LogP7.77
Rot. Bonds6

About 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline

4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline (PubChem CID 46908553) has the molecular formula C28H22Cl2FN3O and a molecular weight of 506.41 g/mol. Its IUPAC name is 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline.

Molecular Properties

Compound Name4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline
PubChem CID46908553
Molecular FormulaC28H22Cl2FN3O
Molecular Weight506.41 g/mol
Exact Mass505.11
IUPAC Name4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(COc2ccnc3ccccc23)n1-c1ccc(F)cc1
InChIInChI=1S/C28H22Cl2FN3O/c1-28(2,18-7-12-22(29)23(30)15-18)26-16-33-27(34(26)20-10-8-19(31)9-11-20)17-35-25-13-14-32-24-6-4-3-5-21(24)25/h3-16H,17H2,1-2H3
InChIKeyDKQNRQMGVJOQFH-UHFFFAOYSA-N
XLogP7.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.41
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline?
The IUPAC name of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline (CID 46908553) is 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline.
What is the SMILES notation for 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline?
The canonical SMILES for 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(COc2ccnc3ccccc23)n1-c1ccc(F)cc1.
What is the InChIKey of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline?
The InChIKey is DKQNRQMGVJOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2FN3O/c1-28(2,18-7-12-22(29)23(30)15-18)26-16-33-27(34(26)20-10-8-19(31)9-11-20)17-35-25-13-14-32-24-6-4-3-5-21(24)25/h3-16H,17H2,1-2H3.
What are the key properties of 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline?
4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline has a molecular weight of 506.41 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methoxy]quinoline is sourced from PubChem (CID 46908553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).