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

C27H27F3N6 — CID 24896871

IUPAC2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C27H27F3N6/c28-27(29,30)24-23(35-26(36-24)21-4-2-14-32-21)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-33-25(34-22)20-3-1-13-31-20/h5-12,15,20-21,31-32H,1-4,13-14H2,(H,33,34)(H,35,36)/t20-,21-/m0/s1
InChIKeyWXCGGWJUOUBHRS-SFTDATJTSA-N
MW492.55 g/mol
LogP6.00
Rot. Bonds5

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

2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 24896871) has the molecular formula C27H27F3N6 and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID24896871
Molecular FormulaC27H27F3N6
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C27H27F3N6/c28-27(29,30)24-23(35-26(36-24)21-4-2-14-32-21)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-33-25(34-22)20-3-1-13-31-20/h5-12,15,20-21,31-32H,1-4,13-14H2,(H,33,34)(H,35,36)/t20-,21-/m0/s1
InChIKeyWXCGGWJUOUBHRS-SFTDATJTSA-N
XLogP6.00
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 5310982
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CID 65895
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CID 296732
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CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
CID 9966703
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
Bag-1
CID 25025860
((S)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-amine
CID 10323382
((R)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-amine
CID 10601190
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 24897548

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole (CID 24896871) is 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is WXCGGWJUOUBHRS-SFTDATJTSA-N. The full InChI is InChI=1S/C27H27F3N6/c28-27(29,30)24-23(35-26(36-24)21-4-2-14-32-21)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-33-25(34-22)20-3-1-13-31-20/h5-12,15,20-21,31-32H,1-4,13-14H2,(H,33,34)(H,35,36)/t20-,21-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole?
2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 492.55 g/mol, XLogP of 6.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 24896871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).