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

C28H32N6 — CID 59668766

IUPAC5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESCc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1C
InChIInChI=1S/C28H32N6/c1-17-13-19(25-15-31-27(33-25)23-5-3-11-29-23)7-9-21(17)22-10-8-20(14-18(22)2)26-16-32-28(34-26)24-6-4-12-30-24/h7-10,13-16,23-24,29-30H,3-6,11-12H2,1-2H3,(H,31,33)(H,32,34)/t23-,24-/m0/s1
InChIKeyLYKVSDZXGWXLII-ZEQRLZLVSA-N
MW452.61 g/mol
LogP5.60
Rot. Bonds5

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

5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (PubChem CID 59668766) has the molecular formula C28H32N6 and a molecular weight of 452.61 g/mol. Its IUPAC name is 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
PubChem CID59668766
Molecular FormulaC28H32N6
Molecular Weight452.61 g/mol
Exact Mass452.27
IUPAC Name5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESCc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1C
InChIInChI=1S/C28H32N6/c1-17-13-19(25-15-31-27(33-25)23-5-3-11-29-23)7-9-21(17)22-10-8-20(14-18(22)2)26-16-32-28(34-26)24-6-4-12-30-24/h7-10,13-16,23-24,29-30H,3-6,11-12H2,1-2H3,(H,31,33)(H,32,34)/t23-,24-/m0/s1
InChIKeyLYKVSDZXGWXLII-ZEQRLZLVSA-N
XLogP5.60
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (CID 59668766) is 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is Cc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1C.
What is the InChIKey of 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is LYKVSDZXGWXLII-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H32N6/c1-17-13-19(25-15-31-27(33-25)23-5-3-11-29-23)7-9-21(17)22-10-8-20(14-18(22)2)26-16-32-28(34-26)24-6-4-12-30-24/h7-10,13-16,23-24,29-30H,3-6,11-12H2,1-2H3,(H,31,33)(H,32,34)/t23-,24-/m0/s1.
What are the key properties of 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 452.61 g/mol, XLogP of 5.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 59668766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).