N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide

C15H21N3O — CID 127037565

IUPACN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C15H21N3O/c1-2-3-4-5-14(19)18-13-8-6-12(7-9-13)15-16-10-11-17-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyGFMNOIMUSPYONZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds6

About N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide (PubChem CID 127037565) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide
PubChem CID127037565
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C15H21N3O/c1-2-3-4-5-14(19)18-13-8-6-12(7-9-13)15-16-10-11-17-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyGFMNOIMUSPYONZ-UHFFFAOYSA-N
XLogP2.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
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 N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide?
The IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide (CID 127037565) is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide?
The canonical SMILES for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide?
The InChIKey is GFMNOIMUSPYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-4-5-14(19)18-13-8-6-12(7-9-13)15-16-10-11-17-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide?
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide has a molecular weight of 259.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]hexanamide is sourced from PubChem (CID 127037565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).