9-imidazol-1-yl-N-methylnonanamide

C13H23N3O — CID 12803322

IUPAC9-imidazol-1-yl-N-methylnonanamide
SMILESCNC(=O)CCCCCCCCn1ccnc1
InChIInChI=1S/C13H23N3O/c1-14-13(17)8-6-4-2-3-5-7-10-16-11-9-15-12-16/h9,11-12H,2-8,10H2,1H3,(H,14,17)
InChIKeyVPZWNRBQUUCFNL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.36
Rot. Bonds9

About 9-imidazol-1-yl-N-methylnonanamide

9-imidazol-1-yl-N-methylnonanamide (PubChem CID 12803322) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 9-imidazol-1-yl-N-methylnonanamide.

Molecular Properties

Compound Name9-imidazol-1-yl-N-methylnonanamide
PubChem CID12803322
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name9-imidazol-1-yl-N-methylnonanamide
SMILESCNC(=O)CCCCCCCCn1ccnc1
InChIInChI=1S/C13H23N3O/c1-14-13(17)8-6-4-2-3-5-7-10-16-11-9-15-12-16/h9,11-12H,2-8,10H2,1H3,(H,14,17)
InChIKeyVPZWNRBQUUCFNL-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
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1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
carbonic acid;1-dodecylimidazole
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6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
acetic acid;1-decylimidazole
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propyl 8-imidazol-1-yloctanoate
CID 54366798
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
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1-(7-methyloctyl)imidazole
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CID 58988197

Frequently Asked Questions

What is the IUPAC name of 9-imidazol-1-yl-N-methylnonanamide?
The IUPAC name of 9-imidazol-1-yl-N-methylnonanamide (CID 12803322) is 9-imidazol-1-yl-N-methylnonanamide.
What is the SMILES notation for 9-imidazol-1-yl-N-methylnonanamide?
The canonical SMILES for 9-imidazol-1-yl-N-methylnonanamide is CNC(=O)CCCCCCCCn1ccnc1.
What is the InChIKey of 9-imidazol-1-yl-N-methylnonanamide?
The InChIKey is VPZWNRBQUUCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-13(17)8-6-4-2-3-5-7-10-16-11-9-15-12-16/h9,11-12H,2-8,10H2,1H3,(H,14,17).
What are the key properties of 9-imidazol-1-yl-N-methylnonanamide?
9-imidazol-1-yl-N-methylnonanamide has a molecular weight of 237.35 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imidazol-1-yl-N-methylnonanamide is sourced from PubChem (CID 12803322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).