2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine

C11H17N3 — CID 123308206

IUPAC2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine
SMILES[H]/N=C1\C=CC2NC3CCCCN3C2C1
InChIInChI=1S/C11H17N3/c12-8-4-5-9-10(7-8)14-6-2-1-3-11(14)13-9/h4-5,9-13H,1-3,6-7H2/b12-8+
InChIKeyDNFSGDNHDDBIDJ-XYOKQWHBSA-N
MW191.28 g/mol
LogP1.12
Rot. Bonds

About 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine

2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine (PubChem CID 123308206) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine.

Molecular Properties

Compound Name2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine
PubChem CID123308206
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine
SMILES[H]/N=C1\C=CC2NC3CCCCN3C2C1
InChIInChI=1S/C11H17N3/c12-8-4-5-9-10(7-8)14-6-2-1-3-11(14)13-9/h4-5,9-13H,1-3,6-7H2/b12-8+
InChIKeyDNFSGDNHDDBIDJ-XYOKQWHBSA-N
XLogP1.12
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine?
The IUPAC name of 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine (CID 123308206) is 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine.
What is the SMILES notation for 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine?
The canonical SMILES for 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine is [H]/N=C1\C=CC2NC3CCCCN3C2C1.
What is the InChIKey of 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine?
The InChIKey is DNFSGDNHDDBIDJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H17N3/c12-8-4-5-9-10(7-8)14-6-2-1-3-11(14)13-9/h4-5,9-13H,1-3,6-7H2/b12-8+.
What are the key properties of 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine?
2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine has a molecular weight of 191.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,5a,9,9a-octahydro-1H-pyrido[1,2-a]benzimidazol-8-imine is sourced from PubChem (CID 123308206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).