2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole

C17H17FN2O — CID 82249693

IUPAC2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc(COCc2ccccc2C2=NCCN2)cc1
InChIInChI=1S/C17H17FN2O/c18-15-7-5-13(6-8-15)11-21-12-14-3-1-2-4-16(14)17-19-9-10-20-17/h1-8H,9-12H2,(H,19,20)
InChIKeyKKTZOJMRTSIGRS-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole

2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82249693) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82249693
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc(COCc2ccccc2C2=NCCN2)cc1
InChIInChI=1S/C17H17FN2O/c18-15-7-5-13(6-8-15)11-21-12-14-3-1-2-4-16(14)17-19-9-10-20-17/h1-8H,9-12H2,(H,19,20)
InChIKeyKKTZOJMRTSIGRS-UHFFFAOYSA-N
XLogP2.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole (CID 82249693) is 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole is Fc1ccc(COCc2ccccc2C2=NCCN2)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KKTZOJMRTSIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-7-5-13(6-8-15)11-21-12-14-3-1-2-4-16(14)17-19-9-10-20-17/h1-8H,9-12H2,(H,19,20).
What are the key properties of 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 284.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82249693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).