5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole

C26H30N6 — CID 118338327

IUPAC5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole
SMILESc1nc2c(-c3ccc4c(c3)ncn4C3CCCCC3)cc(N3CC4CNCC4C3)cc2[nH]1
InChIInChI=1S/C26H30N6/c1-2-4-20(5-3-1)32-16-30-23-8-17(6-7-25(23)32)22-9-21(10-24-26(22)29-15-28-24)31-13-18-11-27-12-19(18)14-31/h6-10,15-16,18-20,27H,1-5,11-14H2,(H,28,29)
InChIKeyQPSIVQXZEREBRG-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.74
Rot. Bonds3

About 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole

5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole (PubChem CID 118338327) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole.

Molecular Properties

Compound Name5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole
PubChem CID118338327
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole
SMILESc1nc2c(-c3ccc4c(c3)ncn4C3CCCCC3)cc(N3CC4CNCC4C3)cc2[nH]1
InChIInChI=1S/C26H30N6/c1-2-4-20(5-3-1)32-16-30-23-8-17(6-7-25(23)32)22-9-21(10-24-26(22)29-15-28-24)31-13-18-11-27-12-19(18)14-31/h6-10,15-16,18-20,27H,1-5,11-14H2,(H,28,29)
InChIKeyQPSIVQXZEREBRG-UHFFFAOYSA-N
XLogP4.74
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole?
The IUPAC name of 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole (CID 118338327) is 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole.
What is the SMILES notation for 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole?
The canonical SMILES for 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole is c1nc2c(-c3ccc4c(c3)ncn4C3CCCCC3)cc(N3CC4CNCC4C3)cc2[nH]1.
What is the InChIKey of 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole?
The InChIKey is QPSIVQXZEREBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-2-4-20(5-3-1)32-16-30-23-8-17(6-7-25(23)32)22-9-21(10-24-26(22)29-15-28-24)31-13-18-11-27-12-19(18)14-31/h6-10,15-16,18-20,27H,1-5,11-14H2,(H,28,29).
What are the key properties of 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole?
5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole has a molecular weight of 426.57 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-benzimidazol-4-yl]-1-cyclohexylbenzimidazole is sourced from PubChem (CID 118338327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).