(4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole

C26H28F6N4 — CID 170907069

IUPAC(4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
SMILESCC(C)[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(C2=N[C@@H](C(C)C)CN2c2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C26H28F6N4/c1-15(2)21-13-35(19-9-5-7-17(11-19)25(27,28)29)23(33-21)24-34-22(16(3)4)14-36(24)20-10-6-8-18(12-20)26(30,31)32/h5-12,15-16,21-22H,13-14H2,1-4H3/t21-,22+
InChIKeyHTZNQWGWICKGFA-SZPZYZBQSA-N
MW510.53 g/mol
LogP6.91
Rot. Bonds5

About (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole

(4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole (PubChem CID 170907069) has the molecular formula C26H28F6N4 and a molecular weight of 510.53 g/mol. Its IUPAC name is (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
PubChem CID170907069
Molecular FormulaC26H28F6N4
Molecular Weight510.53 g/mol
Exact Mass510.22
IUPAC Name(4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
SMILESCC(C)[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(C2=N[C@@H](C(C)C)CN2c2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C26H28F6N4/c1-15(2)21-13-35(19-9-5-7-17(11-19)25(27,28)29)23(33-21)24-34-22(16(3)4)14-36(24)20-10-6-8-18(12-20)26(30,31)32/h5-12,15-16,21-22H,13-14H2,1-4H3/t21-,22+
InChIKeyHTZNQWGWICKGFA-SZPZYZBQSA-N
XLogP6.91
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.53
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole with MolForge

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Related Compounds

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CID 117002935
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 43084361
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766

Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The IUPAC name of (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole (CID 170907069) is (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole.
What is the SMILES notation for (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The canonical SMILES for (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole is CC(C)[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(C2=N[C@@H](C(C)C)CN2c2cccc(C(F)(F)F)c2)=N1.
What is the InChIKey of (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The InChIKey is HTZNQWGWICKGFA-SZPZYZBQSA-N. The full InChI is InChI=1S/C26H28F6N4/c1-15(2)21-13-35(19-9-5-7-17(11-19)25(27,28)29)23(33-21)24-34-22(16(3)4)14-36(24)20-10-6-8-18(12-20)26(30,31)32/h5-12,15-16,21-22H,13-14H2,1-4H3/t21-,22+.
What are the key properties of (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
(4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole has a molecular weight of 510.53 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-yl-2-[(4S)-4-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 170907069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).