1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole

C18H17F3N2O — CID 146607964

IUPAC1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
SMILESCOc1ccccc1CN1CCN=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O/c1-24-16-5-3-2-4-14(16)12-23-11-10-22-17(23)13-6-8-15(9-7-13)18(19,20)21/h2-9H,10-12H2,1H3
InChIKeyIBMMNKFHMXNRLN-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.98
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole

1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole (PubChem CID 146607964) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
PubChem CID146607964
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
SMILESCOc1ccccc1CN1CCN=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O/c1-24-16-5-3-2-4-14(16)12-23-11-10-22-17(23)13-6-8-15(9-7-13)18(19,20)21/h2-9H,10-12H2,1H3
InChIKeyIBMMNKFHMXNRLN-UHFFFAOYSA-N
XLogP3.98
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole (CID 146607964) is 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole is COc1ccccc1CN1CCN=C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The InChIKey is IBMMNKFHMXNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-24-16-5-3-2-4-14(16)12-23-11-10-22-17(23)13-6-8-15(9-7-13)18(19,20)21/h2-9H,10-12H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole has a molecular weight of 334.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 146607964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).