5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

C10H17N3 — CID 134313832

IUPAC5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCCCCCN1Cc2nc[nH]c2C1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-13-6-9-10(7-13)12-8-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyFZYBVFDHQBSRRJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.92
Rot. Bonds4

About 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 134313832) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID134313832
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCCCCCN1Cc2nc[nH]c2C1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-13-6-9-10(7-13)12-8-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyFZYBVFDHQBSRRJ-UHFFFAOYSA-N
XLogP1.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 134313832) is 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is CCCCCN1Cc2nc[nH]c2C1.
What is the InChIKey of 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is FZYBVFDHQBSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-4-5-13-6-9-10(7-13)12-8-11-9/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 134313832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).