N-[(E)-octadec-9-enyl]imidazole-1-carboxamide

C22H39N3O — CID 18328497

IUPACN-[(E)-octadec-9-enyl]imidazole-1-carboxamide
SMILESCCCCCCCC/C=C/CCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)25-20-19-23-21-25/h9-10,19-21H,2-8,11-18H2,1H3,(H,24,26)/b10-9+
InChIKeyLJXWFQWHYIUFHP-MDZDMXLPSA-N
MW361.57 g/mol
LogP6.48
Rot. Bonds16

About N-[(E)-octadec-9-enyl]imidazole-1-carboxamide

N-[(E)-octadec-9-enyl]imidazole-1-carboxamide (PubChem CID 18328497) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is N-[(E)-octadec-9-enyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-octadec-9-enyl]imidazole-1-carboxamide
PubChem CID18328497
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC NameN-[(E)-octadec-9-enyl]imidazole-1-carboxamide
SMILESCCCCCCCC/C=C/CCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)25-20-19-23-21-25/h9-10,19-21H,2-8,11-18H2,1H3,(H,24,26)/b10-9+
InChIKeyLJXWFQWHYIUFHP-MDZDMXLPSA-N
XLogP6.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-octadec-9-enyl]imidazole-1-carboxamide?
The IUPAC name of N-[(E)-octadec-9-enyl]imidazole-1-carboxamide (CID 18328497) is N-[(E)-octadec-9-enyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(E)-octadec-9-enyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(E)-octadec-9-enyl]imidazole-1-carboxamide is CCCCCCCC/C=C/CCCCCCCCNC(=O)n1ccnc1.
What is the InChIKey of N-[(E)-octadec-9-enyl]imidazole-1-carboxamide?
The InChIKey is LJXWFQWHYIUFHP-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)25-20-19-23-21-25/h9-10,19-21H,2-8,11-18H2,1H3,(H,24,26)/b10-9+.
What are the key properties of N-[(E)-octadec-9-enyl]imidazole-1-carboxamide?
N-[(E)-octadec-9-enyl]imidazole-1-carboxamide has a molecular weight of 361.57 g/mol, XLogP of 6.48, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-octadec-9-enyl]imidazole-1-carboxamide is sourced from PubChem (CID 18328497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).