5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

C28H31ClN6 — CID 70673370

IUPAC5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
SMILESC[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5nc([C@@H]6CC[C@H](C)N6)[nH]c5Cl)cc4)cc3)[nH]2)N1
InChIInChI=1S/C28H31ClN6/c1-16-3-13-22(31-16)27-30-15-24(33-27)20-9-5-18(6-10-20)19-7-11-21(12-8-19)25-26(29)35-28(34-25)23-14-4-17(2)32-23/h5-12,15-17,22-23,31-32H,3-4,13-14H2,1-2H3,(H,30,33)(H,34,35)/t16-,17-,22-,23-/m0/s1
InChIKeyPCVGJBGEZWLILG-DODAUVCRSA-N
MW487.05 g/mol
LogP6.41
Rot. Bonds5

About 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (PubChem CID 70673370) has the molecular formula C28H31ClN6 and a molecular weight of 487.05 g/mol. Its IUPAC name is 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
PubChem CID70673370
Molecular FormulaC28H31ClN6
Molecular Weight487.05 g/mol
Exact Mass486.23
IUPAC Name5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
SMILESC[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5nc([C@@H]6CC[C@H](C)N6)[nH]c5Cl)cc4)cc3)[nH]2)N1
InChIInChI=1S/C28H31ClN6/c1-16-3-13-22(31-16)27-30-15-24(33-27)20-9-5-18(6-10-20)19-7-11-21(12-8-19)25-26(29)35-28(34-25)23-14-4-17(2)32-23/h5-12,15-17,22-23,31-32H,3-4,13-14H2,1-2H3,(H,30,33)(H,34,35)/t16-,17-,22-,23-/m0/s1
InChIKeyPCVGJBGEZWLILG-DODAUVCRSA-N
XLogP6.41
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole with MolForge

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Related Compounds

2-[(5S)-4,5-dimethylpyrrolidin-2-yl]-5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 90151746
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
CID 141299520
5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole
CID 75991860
3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 123350976
tert-butyl 2-methyl-5-[5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 143848551
(3S)-3-[4-[4-[4-[2-[(2S,4R,5R)-4,5-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 129022563
2-[2-[(2S,5R)-5-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
CID 147367127
N-methyl-2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 24897099
2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 24896872
5-[4-[4-[4-[2-(2-azabicyclo[3.2.0]heptan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-3,3-dimethyl-1,3-azasilolidine
CID 123475485
3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 24899595
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
CID 131735785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The IUPAC name of 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (CID 70673370) is 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is C[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5nc([C@@H]6CC[C@H](C)N6)[nH]c5Cl)cc4)cc3)[nH]2)N1.
What is the InChIKey of 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The InChIKey is PCVGJBGEZWLILG-DODAUVCRSA-N. The full InChI is InChI=1S/C28H31ClN6/c1-16-3-13-22(31-16)27-30-15-24(33-27)20-9-5-18(6-10-20)19-7-11-21(12-8-19)25-26(29)35-28(34-25)23-14-4-17(2)32-23/h5-12,15-17,22-23,31-32H,3-4,13-14H2,1-2H3,(H,30,33)(H,34,35)/t16-,17-,22-,23-/m0/s1.
What are the key properties of 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole has a molecular weight of 487.05 g/mol, XLogP of 6.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 70673370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).