2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole

C24H28N6 — CID 59236993

IUPAC2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
SMILESc1cc2nc([C@@H]3CCCN3)[nH]c2cc1CCc1ccc2nc([C@@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C24H28N6/c1-3-19(25-11-1)23-27-17-9-7-15(13-21(17)29-23)5-6-16-8-10-18-22(14-16)30-24(28-18)20-4-2-12-26-20/h7-10,13-14,19-20,25-26H,1-6,11-12H2,(H,27,29)(H,28,30)/t19-,20-/m0/s1
InChIKeyYVXKCCHOQGIPFA-PMACEKPBSA-N
MW400.53 g/mol
LogP4.07
Rot. Bonds5

About 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole

2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole (PubChem CID 59236993) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
PubChem CID59236993
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
SMILESc1cc2nc([C@@H]3CCCN3)[nH]c2cc1CCc1ccc2nc([C@@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C24H28N6/c1-3-19(25-11-1)23-27-17-9-7-15(13-21(17)29-23)5-6-16-8-10-18-22(14-16)30-24(28-18)20-4-2-12-26-20/h7-10,13-14,19-20,25-26H,1-6,11-12H2,(H,27,29)(H,28,30)/t19-,20-/m0/s1
InChIKeyYVXKCCHOQGIPFA-PMACEKPBSA-N
XLogP4.07
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 86637332
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
6-[(2S)-1-(4-cyclopropylphenyl)-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 118536301
2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
CID 175282242
2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole
CID 58384809
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole (CID 59236993) is 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole is c1cc2nc([C@@H]3CCCN3)[nH]c2cc1CCc1ccc2nc([C@@H]3CCCN3)[nH]c2c1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole?
The InChIKey is YVXKCCHOQGIPFA-PMACEKPBSA-N. The full InChI is InChI=1S/C24H28N6/c1-3-19(25-11-1)23-27-17-9-7-15(13-21(17)29-23)5-6-16-8-10-18-22(14-16)30-24(28-18)20-4-2-12-26-20/h7-10,13-14,19-20,25-26H,1-6,11-12H2,(H,27,29)(H,28,30)/t19-,20-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole?
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole has a molecular weight of 400.53 g/mol, XLogP of 4.07, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 59236993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).