4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide

C21H41N3O — CID 174834735

IUPAC4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide
SMILESC1=NCCN1.CCCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-5-3-4-1/h9-10H,2-8,11-17H2,1H3,(H2,19,20);3H,1-2H2,(H,4,5)/b10-9-;
InChIKeyDLYIADMTZNYBSL-KVVVOXFISA-N
MW351.58 g/mol
LogP5.13
Rot. Bonds15

About 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide

4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide (PubChem CID 174834735) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide
PubChem CID174834735
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC Name4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide
SMILESC1=NCCN1.CCCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-5-3-4-1/h9-10H,2-8,11-17H2,1H3,(H2,19,20);3H,1-2H2,(H,4,5)/b10-9-;
InChIKeyDLYIADMTZNYBSL-KVVVOXFISA-N
XLogP5.13
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
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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Related Compounds

4,5-dihydro-1H-imidazole;(Z)-docos-13-enoic acid
CID 175010833
4,5-dihydro-1H-imidazole;(9Z,12Z)-octadeca-9,12-dienoic acid;phosphoric acid
CID 175597588
octadec-8-enamide
CID 57212690
(E)-icos-11-enamide
CID 5365373
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide?
The IUPAC name of 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide (CID 174834735) is 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide?
The canonical SMILES for 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide is C1=NCCN1.CCCCCCCC/C=C\CCCCCCCC(N)=O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide?
The InChIKey is DLYIADMTZNYBSL-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35NO.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-5-3-4-1/h9-10H,2-8,11-17H2,1H3,(H2,19,20);3H,1-2H2,(H,4,5)/b10-9-;.
What are the key properties of 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide?
4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide has a molecular weight of 351.58 g/mol, XLogP of 5.13, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;(Z)-octadec-9-enamide is sourced from PubChem (CID 174834735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).