3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide

C12H23N3O — CID 129144719

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCC1=NCCN1
InChIInChI=1S/C12H23N3O/c1-2-3-4-5-8-15-12(16)7-6-11-13-9-10-14-11/h2-10H2,1H3,(H,13,14)(H,15,16)
InChIKeyBXAKNMSPTWZOIH-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.46
Rot. Bonds8

About 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide

3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide (PubChem CID 129144719) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide
PubChem CID129144719
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCC1=NCCN1
InChIInChI=1S/C12H23N3O/c1-2-3-4-5-8-15-12(16)7-6-11-13-9-10-14-11/h2-10H2,1H3,(H,13,14)(H,15,16)
InChIKeyBXAKNMSPTWZOIH-UHFFFAOYSA-N
XLogP1.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
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 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide (CID 129144719) is 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide is CCCCCCNC(=O)CCC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide?
The InChIKey is BXAKNMSPTWZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-3-4-5-8-15-12(16)7-6-11-13-9-10-14-11/h2-10H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide?
3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide is sourced from PubChem (CID 129144719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).