(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole

C23H24F6N2O — CID 59904881

IUPAC(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole
SMILESCCCC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C23H24F6N2O/c1-3-7-20-30-21(14-31(20)2,17-8-5-4-6-9-17)15-32-13-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h4-6,8-12H,3,7,13-15H2,1-2H3/t21-/m1/s1
InChIKeyRVWYTHZDGMPRKY-OAQYLSRUSA-N
MW458.45 g/mol
LogP6.28
Rot. Bonds7

About (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole

(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole (PubChem CID 59904881) has the molecular formula C23H24F6N2O and a molecular weight of 458.45 g/mol. Its IUPAC name is (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole.

Molecular Properties

Compound Name(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole
PubChem CID59904881
Molecular FormulaC23H24F6N2O
Molecular Weight458.45 g/mol
Exact Mass458.18
IUPAC Name(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole
SMILESCCCC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C23H24F6N2O/c1-3-7-20-30-21(14-31(20)2,17-8-5-4-6-9-17)15-32-13-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h4-6,8-12H,3,7,13-15H2,1-2H3/t21-/m1/s1
InChIKeyRVWYTHZDGMPRKY-OAQYLSRUSA-N
XLogP6.28
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.45
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]ethanesulfonamide
CID 22960792
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylimidazolidin-2-one
CID 22960728
(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-3-phenylazepane
CID 71583096
(4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylpyrrolidin-2-imine
CID 123325418
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
(4aS,6R,8aS)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-6-phenyl-2,3,4,4a,5,8a-hexahydro-1H-1,7-naphthyridine
CID 101252838
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methylsulfonyl-4-phenylpiperidine
CID 10743826
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]acetic acid
CID 19960197
methyl 3-[[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]amino]-3-oxopropanoate
CID 10414699
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
CID 19960152
4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-methylbutanoic acid
CID 87236679
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-piperidin-1-ylimidazolidin-2-one
CID 154533305

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole?
The IUPAC name of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole (CID 59904881) is (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole.
What is the SMILES notation for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole?
The canonical SMILES for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole is CCCC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C.
What is the InChIKey of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole?
The InChIKey is RVWYTHZDGMPRKY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24F6N2O/c1-3-7-20-30-21(14-31(20)2,17-8-5-4-6-9-17)15-32-13-16-10-18(22(24,25)26)12-19(11-16)23(27,28)29/h4-6,8-12H,3,7,13-15H2,1-2H3/t21-/m1/s1.
What are the key properties of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole?
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole has a molecular weight of 458.45 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole is sourced from PubChem (CID 59904881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).