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

C26H28N6 — CID 91301281

IUPAC2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
SMILESc1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2ncc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C26H28N6/c1-3-21(27-13-1)24-16-29-25(32-24)20-11-7-18(8-12-20)17-5-9-19(10-6-17)23-15-30-26(31-23)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,32)(H,30,31)
InChIKeyRZGOUNDFHYEWDF-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.98
Rot. Bonds5

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

2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole (PubChem CID 91301281) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
PubChem CID91301281
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
SMILESc1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2ncc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C26H28N6/c1-3-21(27-13-1)24-16-29-25(32-24)20-11-7-18(8-12-20)17-5-9-19(10-6-17)23-15-30-26(31-23)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,32)(H,30,31)
InChIKeyRZGOUNDFHYEWDF-UHFFFAOYSA-N
XLogP4.98
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole (CID 91301281) is 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole is c1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2ncc(C3CCCN3)[nH]2)cc1.
What is the InChIKey of 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
The InChIKey is RZGOUNDFHYEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-3-21(27-13-1)24-16-29-25(32-24)20-11-7-18(8-12-20)17-5-9-19(10-6-17)23-15-30-26(31-23)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,32)(H,30,31).
What are the key properties of 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole has a molecular weight of 424.55 g/mol, XLogP of 4.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 91301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).