4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol

C20H19F6N3O — CID 16682604

IUPAC4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESNC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6N3O/c21-19(22,23)14-7-13(8-15(10-14)20(24,25)26)5-6-29-16(11-28-18(29)27)9-12-1-3-17(30)4-2-12/h1-4,7-8,10,16,30H,5-6,9,11H2,(H2,27,28)/t16-/m1/s1
InChIKeyKQKWGPIBEGEBFO-MRXNPFEDSA-N
MW431.38 g/mol
LogP4.21
Rot. Bonds5

About 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol

4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol (PubChem CID 16682604) has the molecular formula C20H19F6N3O and a molecular weight of 431.38 g/mol. Its IUPAC name is 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol
PubChem CID16682604
Molecular FormulaC20H19F6N3O
Molecular Weight431.38 g/mol
Exact Mass431.14
IUPAC Name4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESNC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6N3O/c21-19(22,23)14-7-13(8-15(10-14)20(24,25)26)5-6-29-16(11-28-18(29)27)9-12-1-3-17(30)4-2-12/h1-4,7-8,10,16,30H,5-6,9,11H2,(H2,27,28)/t16-/m1/s1
InChIKeyKQKWGPIBEGEBFO-MRXNPFEDSA-N
XLogP4.21
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682607
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione
CID 16745446
4-[[(4R)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16745918
4-[[(2S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]methyl]phenol
CID 23641150
4-[[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]methyl]phenol
CID 23641159
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione
CID 16197242
4-[[(4R)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682597
4-[[(4S)-2-amino-3-[2-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682608
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682609
4-[[(4S)-2-amino-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682610
4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682611
4-[[(4S)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682612

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol (CID 16682604) is 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol is NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol?
The InChIKey is KQKWGPIBEGEBFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F6N3O/c21-19(22,23)14-7-13(8-15(10-14)20(24,25)26)5-6-29-16(11-28-18(29)27)9-12-1-3-17(30)4-2-12/h1-4,7-8,10,16,30H,5-6,9,11H2,(H2,27,28)/t16-/m1/s1.
What are the key properties of 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol?
4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol has a molecular weight of 431.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2-amino-3-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol is sourced from PubChem (CID 16682604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).