5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole

C19H18F2N2O — CID 6603881

IUPAC5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole
SMILESFc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18F2N2O/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18/h3-10,12-13,19H,1-2,11H2,(H,22,23)
InChIKeySNICMGDUOVKOPQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.43
Rot. Bonds7

About 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole

5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole (PubChem CID 6603881) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole
PubChem CID6603881
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole
SMILESFc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18F2N2O/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18/h3-10,12-13,19H,1-2,11H2,(H,22,23)
InChIKeySNICMGDUOVKOPQ-UHFFFAOYSA-N
XLogP4.43
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole (CID 6603881) is 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole is Fc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1.
What is the InChIKey of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole?
The InChIKey is SNICMGDUOVKOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18/h3-10,12-13,19H,1-2,11H2,(H,22,23).
What are the key properties of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole?
5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole has a molecular weight of 328.36 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole is sourced from PubChem (CID 6603881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).