2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride

C23H22ClF3N2O2 — CID 57447579

IUPAC2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOCCOc1cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2cc1C1=NCCN1.Cl
InChIInChI=1S/C23H21F3N2O2.ClH/c1-29-10-11-30-21-14-17-3-2-16(15-4-6-19(7-5-15)23(24,25)26)12-18(17)13-20(21)22-27-8-9-28-22;/h2-7,12-14H,8-11H2,1H3,(H,27,28);1H
InChIKeyORFRBFWJBKQIOE-UHFFFAOYSA-N
MW450.89 g/mol
LogP5.32
Rot. Bonds6

About 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 57447579) has the molecular formula C23H22ClF3N2O2 and a molecular weight of 450.89 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID57447579
Molecular FormulaC23H22ClF3N2O2
Molecular Weight450.89 g/mol
Exact Mass450.13
IUPAC Name2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOCCOc1cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2cc1C1=NCCN1.Cl
InChIInChI=1S/C23H21F3N2O2.ClH/c1-29-10-11-30-21-14-17-3-2-16(15-4-6-19(7-5-15)23(24,25)26)12-18(17)13-20(21)22-27-8-9-28-22;/h2-7,12-14H,8-11H2,1H3,(H,27,28);1H
InChIKeyORFRBFWJBKQIOE-UHFFFAOYSA-N
XLogP5.32
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 57447579) is 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride is COCCOc1cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2cc1C1=NCCN1.Cl.
What is the InChIKey of 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is ORFRBFWJBKQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2.ClH/c1-29-10-11-30-21-14-17-3-2-16(15-4-6-19(7-5-15)23(24,25)26)12-18(17)13-20(21)22-27-8-9-28-22;/h2-7,12-14H,8-11H2,1H3,(H,27,28);1H.
What are the key properties of 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 450.89 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 57447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).