2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole

C28H28N6O — CID 129171884

IUPAC2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
SMILESc1cc(Oc2ccc(-c3ccc4nc(C5CCCN5)[nH]c4c3)cc2)c2nc(C3CCCN3)[nH]c2c1
InChIInChI=1S/C28H28N6O/c1-4-21-26(34-28(32-21)23-6-3-15-30-23)25(7-1)35-19-11-8-17(9-12-19)18-10-13-20-24(16-18)33-27(31-20)22-5-2-14-29-22/h1,4,7-13,16,22-23,29-30H,2-3,5-6,14-15H2,(H,31,33)(H,32,34)
InChIKeySHKXUDZTWMOYFK-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.75
Rot. Bonds5

About 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole

2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole (PubChem CID 129171884) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
PubChem CID129171884
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
SMILESc1cc(Oc2ccc(-c3ccc4nc(C5CCCN5)[nH]c4c3)cc2)c2nc(C3CCCN3)[nH]c2c1
InChIInChI=1S/C28H28N6O/c1-4-21-26(34-28(32-21)23-6-3-15-30-23)25(7-1)35-19-11-8-17(9-12-19)18-10-13-20-24(16-18)33-27(31-20)22-5-2-14-29-22/h1,4,7-13,16,22-23,29-30H,2-3,5-6,14-15H2,(H,31,33)(H,32,34)
InChIKeySHKXUDZTWMOYFK-UHFFFAOYSA-N
XLogP5.75
TPSA90.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]phenoxy]-1H-benzimidazole
CID 59237096
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
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2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
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2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
CID 175282242
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027
7-[4-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-cyclodeca[d]imidazol-7-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 67477656
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole?
The IUPAC name of 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole (CID 129171884) is 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole.
What is the SMILES notation for 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole?
The canonical SMILES for 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole is c1cc(Oc2ccc(-c3ccc4nc(C5CCCN5)[nH]c4c3)cc2)c2nc(C3CCCN3)[nH]c2c1.
What is the InChIKey of 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole?
The InChIKey is SHKXUDZTWMOYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-4-21-26(34-28(32-21)23-6-3-15-30-23)25(7-1)35-19-11-8-17(9-12-19)18-10-13-20-24(16-18)33-27(31-20)22-5-2-14-29-22/h1,4,7-13,16,22-23,29-30H,2-3,5-6,14-15H2,(H,31,33)(H,32,34).
What are the key properties of 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole?
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole has a molecular weight of 464.57 g/mol, XLogP of 5.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole is sourced from PubChem (CID 129171884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).