1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid

C22H39N3O3 — CID 12800174

IUPAC1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.NC(=O)c1cnc[nH]1
InChIInChI=1S/C18H34O2.C4H5N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-4(8)3-1-6-2-7-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-2H,(H2,5,8)(H,6,7)/b10-9-;
InChIKeyMAPZHROSLYBJOD-KVVVOXFISA-N
MW393.57 g/mol
LogP5.62
Rot. Bonds16

About 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid

1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid (PubChem CID 12800174) has the molecular formula C22H39N3O3 and a molecular weight of 393.57 g/mol. Its IUPAC name is 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Name1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid
PubChem CID12800174
Molecular FormulaC22H39N3O3
Molecular Weight393.57 g/mol
Exact Mass393.30
IUPAC Name1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.NC(=O)c1cnc[nH]1
InChIInChI=1S/C18H34O2.C4H5N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-4(8)3-1-6-2-7-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-2H,(H2,5,8)(H,6,7)/b10-9-;
InChIKeyMAPZHROSLYBJOD-KVVVOXFISA-N
XLogP5.62
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-imidazol-5-yl)octadec-9-en-1-one
CID 54081693
cadmium;bis((E)-octadec-9-enoic acid)
CID 156767873
octadecanamide;octadec-9-enoic acid
CID 173130068
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid?
The IUPAC name of 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid (CID 12800174) is 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid.
What is the SMILES notation for 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid?
The canonical SMILES for 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.NC(=O)c1cnc[nH]1.
What is the InChIKey of 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid?
The InChIKey is MAPZHROSLYBJOD-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C4H5N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-4(8)3-1-6-2-7-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-2H,(H2,5,8)(H,6,7)/b10-9-;.
What are the key properties of 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid?
1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid has a molecular weight of 393.57 g/mol, XLogP of 5.62, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 12800174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).