1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole

C14H18N4 — CID 139891496

IUPAC1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole
SMILESCN1CCC2CN(n3cnc4ccccc43)CC21
InChIInChI=1S/C14H18N4/c1-16-7-6-11-8-17(9-14(11)16)18-10-15-12-4-2-3-5-13(12)18/h2-5,10-11,14H,6-9H2,1H3
InChIKeyXNDWVYLJFWNZRS-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.31
Rot. Bonds1

About 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole

1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole (PubChem CID 139891496) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole.

Molecular Properties

Compound Name1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole
PubChem CID139891496
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole
SMILESCN1CCC2CN(n3cnc4ccccc43)CC21
InChIInChI=1S/C14H18N4/c1-16-7-6-11-8-17(9-14(11)16)18-10-15-12-4-2-3-5-13(12)18/h2-5,10-11,14H,6-9H2,1H3
InChIKeyXNDWVYLJFWNZRS-UHFFFAOYSA-N
XLogP1.31
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole?
The IUPAC name of 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole (CID 139891496) is 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole.
What is the SMILES notation for 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole?
The canonical SMILES for 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole is CN1CCC2CN(n3cnc4ccccc43)CC21.
What is the InChIKey of 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole?
The InChIKey is XNDWVYLJFWNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-16-7-6-11-8-17(9-14(11)16)18-10-15-12-4-2-3-5-13(12)18/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole?
1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole has a molecular weight of 242.33 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole is sourced from PubChem (CID 139891496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).