1,12-di(imidazol-1-yl)dodecane-1,12-dione

C18H26N4O2 — CID 14413802

IUPAC1,12-di(imidazol-1-yl)dodecane-1,12-dione
SMILESO=C(CCCCCCCCCCC(=O)n1ccnc1)n1ccnc1
InChIInChI=1S/C18H26N4O2/c23-17(21-13-11-19-15-21)9-7-5-3-1-2-4-6-8-10-18(24)22-14-12-20-16-22/h11-16H,1-10H2
InChIKeyIDLZEFGTCHLPHU-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.96
Rot. Bonds11

About 1,12-di(imidazol-1-yl)dodecane-1,12-dione

1,12-di(imidazol-1-yl)dodecane-1,12-dione (PubChem CID 14413802) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,12-di(imidazol-1-yl)dodecane-1,12-dione.

Molecular Properties

Compound Name1,12-di(imidazol-1-yl)dodecane-1,12-dione
PubChem CID14413802
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1,12-di(imidazol-1-yl)dodecane-1,12-dione
SMILESO=C(CCCCCCCCCCC(=O)n1ccnc1)n1ccnc1
InChIInChI=1S/C18H26N4O2/c23-17(21-13-11-19-15-21)9-7-5-3-1-2-4-6-8-10-18(24)22-14-12-20-16-22/h11-16H,1-10H2
InChIKeyIDLZEFGTCHLPHU-UHFFFAOYSA-N
XLogP3.96
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one
CID 24975542
1-imidazol-1-ylbut-3-en-1-one
CID 67206751
4-(3,3-difluoro-3-sulfanylprop-1-en-2-yl)oxy-1-imidazol-1-ylbutan-1-one
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CID 58641080

Frequently Asked Questions

What is the IUPAC name of 1,12-di(imidazol-1-yl)dodecane-1,12-dione?
The IUPAC name of 1,12-di(imidazol-1-yl)dodecane-1,12-dione (CID 14413802) is 1,12-di(imidazol-1-yl)dodecane-1,12-dione.
What is the SMILES notation for 1,12-di(imidazol-1-yl)dodecane-1,12-dione?
The canonical SMILES for 1,12-di(imidazol-1-yl)dodecane-1,12-dione is O=C(CCCCCCCCCCC(=O)n1ccnc1)n1ccnc1.
What is the InChIKey of 1,12-di(imidazol-1-yl)dodecane-1,12-dione?
The InChIKey is IDLZEFGTCHLPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(21-13-11-19-15-21)9-7-5-3-1-2-4-6-8-10-18(24)22-14-12-20-16-22/h11-16H,1-10H2.
What are the key properties of 1,12-di(imidazol-1-yl)dodecane-1,12-dione?
1,12-di(imidazol-1-yl)dodecane-1,12-dione has a molecular weight of 330.43 g/mol, XLogP of 3.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-di(imidazol-1-yl)dodecane-1,12-dione is sourced from PubChem (CID 14413802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).