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

C24H39N3O — CID 44586599

IUPAC(5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-24(28)22-20-26-23(27-22)21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKeyCSJOUVMETBGXKV-QFIPXVFZSA-N
MW385.60 g/mol
LogP5.22
Rot. Bonds15

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

(5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide (PubChem CID 44586599) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide
PubChem CID44586599
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name(5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-24(28)22-20-26-23(27-22)21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKeyCSJOUVMETBGXKV-QFIPXVFZSA-N
XLogP5.22
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 55.22
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)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The IUPAC name of (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide (CID 44586599) is (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide.
What is the SMILES notation for (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The canonical SMILES for (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1.
What is the InChIKey of (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The InChIKey is CSJOUVMETBGXKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-24(28)22-20-26-23(27-22)21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1.
What are the key properties of (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide?
(5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide has a molecular weight of 385.60 g/mol, XLogP of 5.22, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide is sourced from PubChem (CID 44586599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).