(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide

C26H43N3O — CID 44586600

IUPAC(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C26H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-26(30)24-22-28-25(29-24)23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKeyFHCFRWMKSUGMPF-DEOSSOPVSA-N
MW413.65 g/mol
LogP6.00
Rot. Bonds17

About (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide

(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide (PubChem CID 44586600) has the molecular formula C26H43N3O and a molecular weight of 413.65 g/mol. Its IUPAC name is (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
PubChem CID44586600
Molecular FormulaC26H43N3O
Molecular Weight413.65 g/mol
Exact Mass413.34
IUPAC Name(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C26H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-26(30)24-22-28-25(29-24)23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKeyFHCFRWMKSUGMPF-DEOSSOPVSA-N
XLogP6.00
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 56.00
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 (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The IUPAC name of (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide (CID 44586600) is (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The canonical SMILES for (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide is CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1.
What is the InChIKey of (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The InChIKey is FHCFRWMKSUGMPF-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-26(30)24-22-28-25(29-24)23-19-16-15-17-20-23/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1.
What are the key properties of (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide has a molecular weight of 413.65 g/mol, XLogP of 6.00, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide is sourced from PubChem (CID 44586600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).