5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine

C19H17F6N3O — CID 10223691

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine
SMILESNC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-27-16(26)28-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H3,26,27,28)
InChIKeyQUPNHKSNNXGSFZ-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.05
Rot. Bonds5

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine (PubChem CID 10223691) has the molecular formula C19H17F6N3O and a molecular weight of 417.35 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine
PubChem CID10223691
Molecular FormulaC19H17F6N3O
Molecular Weight417.35 g/mol
Exact Mass417.13
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine
SMILESNC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-27-16(26)28-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H3,26,27,28)
InChIKeyQUPNHKSNNXGSFZ-UHFFFAOYSA-N
XLogP4.05
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 10296442
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)-4,5-dihydrooxazol-2-amine
CID 52940937
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-methyl-4-phenylimidazolidin-2-one
CID 44407938
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)imidazolidin-2-one
CID 9824321
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-1-methylimidazolidin-2-one
CID 10115747
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)imidazolidin-2-one
CID 10204249
(R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-phenylimidazolidin-2-one
CID 10295489
(S)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 44407890
(R)-4-(((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 44407896
(S)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)imidazolidin-2-one
CID 44407932
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-phenylimidazolidin-2-one
CID 44407939
(R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)imidazolidin-2-one
CID 44408062

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine (CID 10223691) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine is NC1=NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine?
The InChIKey is QUPNHKSNNXGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-29-11-17(10-27-16(26)28-17)13-4-2-1-3-5-13/h1-8H,9-11H2,(H3,26,27,28).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine has a molecular weight of 417.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-1,4-dihydroimidazol-2-amine is sourced from PubChem (CID 10223691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).