4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide

C13H22N4O2 — CID 551896

IUPAC4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
SMILESCCCCNC(=O)c1nc[nH]c1C(=O)NCCCC
InChIInChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-11(17-9-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyQVIQJOLYGPTMSX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.47
Rot. Bonds8

About 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide

4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 551896) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
PubChem CID551896
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
SMILESCCCCNC(=O)c1nc[nH]c1C(=O)NCCCC
InChIInChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-11(17-9-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyQVIQJOLYGPTMSX-UHFFFAOYSA-N
XLogP1.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide (CID 551896) is 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide is CCCCNC(=O)c1nc[nH]c1C(=O)NCCCC.
What is the InChIKey of 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QVIQJOLYGPTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-11(17-9-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 551896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).