1-(5-imidazol-1-ylpentyl)imidazole

C11H16N4 — CID 10845871

IUPAC1-(5-imidazol-1-ylpentyl)imidazole
SMILESc1cn(CCCCCn2ccnc2)cn1
InChIInChI=1S/C11H16N4/c1(2-6-14-8-4-12-10-14)3-7-15-9-5-13-11-15/h4-5,8-11H,1-3,6-7H2
InChIKeyCRVLLZCRVARGGG-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.95
Rot. Bonds6

About 1-(5-imidazol-1-ylpentyl)imidazole

1-(5-imidazol-1-ylpentyl)imidazole (PubChem CID 10845871) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(5-imidazol-1-ylpentyl)imidazole.

Molecular Properties

Compound Name1-(5-imidazol-1-ylpentyl)imidazole
PubChem CID10845871
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(5-imidazol-1-ylpentyl)imidazole
SMILESc1cn(CCCCCn2ccnc2)cn1
InChIInChI=1S/C11H16N4/c1(2-6-14-8-4-12-10-14)3-7-15-9-5-13-11-15/h4-5,8-11H,1-3,6-7H2
InChIKeyCRVLLZCRVARGGG-UHFFFAOYSA-N
XLogP1.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(5-imidazol-1-ylpentyl)imidazole?
The IUPAC name of 1-(5-imidazol-1-ylpentyl)imidazole (CID 10845871) is 1-(5-imidazol-1-ylpentyl)imidazole.
What is the SMILES notation for 1-(5-imidazol-1-ylpentyl)imidazole?
The canonical SMILES for 1-(5-imidazol-1-ylpentyl)imidazole is c1cn(CCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(5-imidazol-1-ylpentyl)imidazole?
The InChIKey is CRVLLZCRVARGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1(2-6-14-8-4-12-10-14)3-7-15-9-5-13-11-15/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 1-(5-imidazol-1-ylpentyl)imidazole?
1-(5-imidazol-1-ylpentyl)imidazole has a molecular weight of 204.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imidazol-1-ylpentyl)imidazole is sourced from PubChem (CID 10845871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).