2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole

C27H29F3N6 — CID 90151627

IUPAC2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1cc(C2=CNC([C@@H]3CCCN3)N2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C27H29F3N6/c28-27(29,30)20-13-18(24-15-34-26(36-24)22-4-2-12-32-22)9-10-19(20)16-5-7-17(8-6-16)23-14-33-25(35-23)21-3-1-11-31-21/h5-10,13-15,21-22,26,31-32,34,36H,1-4,11-12H2,(H,33,35)/t21-,22-,26?/m0/s1
InChIKeyQRUJAJAIZJMHNZ-PFXBLUCKSA-N
MW494.57 g/mol
LogP4.76
Rot. Bonds5

About 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole

2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole (PubChem CID 90151627) has the molecular formula C27H29F3N6 and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
PubChem CID90151627
Molecular FormulaC27H29F3N6
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1cc(C2=CNC([C@@H]3CCCN3)N2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C27H29F3N6/c28-27(29,30)20-13-18(24-15-34-26(36-24)22-4-2-12-32-22)9-10-19(20)16-5-7-17(8-6-16)23-14-33-25(35-23)21-3-1-11-31-21/h5-10,13-15,21-22,26,31-32,34,36H,1-4,11-12H2,(H,33,35)/t21-,22-,26?/m0/s1
InChIKeyQRUJAJAIZJMHNZ-PFXBLUCKSA-N
XLogP4.76
TPSA76.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole (CID 90151627) is 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole is FC(F)(F)c1cc(C2=CNC([C@@H]3CCCN3)N2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The InChIKey is QRUJAJAIZJMHNZ-PFXBLUCKSA-N. The full InChI is InChI=1S/C27H29F3N6/c28-27(29,30)20-13-18(24-15-34-26(36-24)22-4-2-12-32-22)9-10-19(20)16-5-7-17(8-6-16)23-14-33-25(35-23)21-3-1-11-31-21/h5-10,13-15,21-22,26,31-32,34,36H,1-4,11-12H2,(H,33,35)/t21-,22-,26?/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole has a molecular weight of 494.57 g/mol, XLogP of 4.76, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-imidazol-4-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 90151627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).