2-deuterio-5-ethyl-1-pentylimidazole

C10H18N2 — CID 175912724

IUPAC2-deuterio-5-ethyl-1-pentylimidazole
SMILES[2H]c1ncc(CC)n1CCCCC
InChIInChI=1S/C10H18N2/c1-3-5-6-7-12-9-11-8-10(12)4-2/h8-9H,3-7H2,1-2H3/i9D
InChIKeyWWRBKLJKPJLRHJ-QOWOAITPSA-N
MW167.27 g/mol
LogP2.64
Rot. Bonds5

About 2-deuterio-5-ethyl-1-pentylimidazole

2-deuterio-5-ethyl-1-pentylimidazole (PubChem CID 175912724) has the molecular formula C10H18N2 and a molecular weight of 167.27 g/mol. Its IUPAC name is 2-deuterio-5-ethyl-1-pentylimidazole.

Molecular Properties

Compound Name2-deuterio-5-ethyl-1-pentylimidazole
PubChem CID175912724
Molecular FormulaC10H18N2
Molecular Weight167.27 g/mol
Exact Mass167.15
IUPAC Name2-deuterio-5-ethyl-1-pentylimidazole
SMILES[2H]c1ncc(CC)n1CCCCC
InChIInChI=1S/C10H18N2/c1-3-5-6-7-12-9-11-8-10(12)4-2/h8-9H,3-7H2,1-2H3/i9D
InChIKeyWWRBKLJKPJLRHJ-QOWOAITPSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
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 2-deuterio-5-ethyl-1-pentylimidazole?
The IUPAC name of 2-deuterio-5-ethyl-1-pentylimidazole (CID 175912724) is 2-deuterio-5-ethyl-1-pentylimidazole.
What is the SMILES notation for 2-deuterio-5-ethyl-1-pentylimidazole?
The canonical SMILES for 2-deuterio-5-ethyl-1-pentylimidazole is [2H]c1ncc(CC)n1CCCCC.
What is the InChIKey of 2-deuterio-5-ethyl-1-pentylimidazole?
The InChIKey is WWRBKLJKPJLRHJ-QOWOAITPSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-6-7-12-9-11-8-10(12)4-2/h8-9H,3-7H2,1-2H3/i9D.
What are the key properties of 2-deuterio-5-ethyl-1-pentylimidazole?
2-deuterio-5-ethyl-1-pentylimidazole has a molecular weight of 167.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-5-ethyl-1-pentylimidazole is sourced from PubChem (CID 175912724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).