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

C26H28N6 — CID 121349923

IUPAC2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole
SMILESc1cn(-c2ccc(-c3ccc(-n4ccnc4[C@@H]4CCCN4)cc3)cc2)c([C@@H]2CCCN2)n1
InChIInChI=1S/C26H28N6/c1-3-23(27-13-1)25-29-15-17-31(25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)32-18-16-30-26(32)24-4-2-14-28-24/h5-12,15-18,23-24,27-28H,1-4,13-14H2/t23-,24-/m0/s1
InChIKeyZGPZCGZXAWFTIS-ZEQRLZLVSA-N
MW424.55 g/mol
LogP4.57
Rot. Bonds5

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

2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole (PubChem CID 121349923) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole
PubChem CID121349923
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole
SMILESc1cn(-c2ccc(-c3ccc(-n4ccnc4[C@@H]4CCCN4)cc3)cc2)c([C@@H]2CCCN2)n1
InChIInChI=1S/C26H28N6/c1-3-23(27-13-1)25-29-15-17-31(25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)32-18-16-30-26(32)24-4-2-14-28-24/h5-12,15-18,23-24,27-28H,1-4,13-14H2/t23-,24-/m0/s1
InChIKeyZGPZCGZXAWFTIS-ZEQRLZLVSA-N
XLogP4.57
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
CID 71757802
1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
CID 57420134
4-(4-chlorophenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82480433
2-[4-[2-[5-(4-chlorophenyl)furan-2-yl]imidazol-1-yl]phenyl]piperidine
CID 118707429
5-cyclopropyl-1-methyl-2-pyrrolidin-2-ylimidazole
CID 84663591
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
7-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 96748169
1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole
CID 117409218
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
1-bromo-8-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazine
CID 71226157
1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one
CID 117431461

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole (CID 121349923) is 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole is c1cn(-c2ccc(-c3ccc(-n4ccnc4[C@@H]4CCCN4)cc3)cc2)c([C@@H]2CCCN2)n1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole?
The InChIKey is ZGPZCGZXAWFTIS-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H28N6/c1-3-23(27-13-1)25-29-15-17-31(25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)32-18-16-30-26(32)24-4-2-14-28-24/h5-12,15-18,23-24,27-28H,1-4,13-14H2/t23-,24-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole?
2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole has a molecular weight of 424.55 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole is sourced from PubChem (CID 121349923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).