2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid

C23H42N2O3 — CID 160978444

IUPAC2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.OCCc1ncc[nH]1
InChIInChI=1S/C18H34O2.C5H8N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-5-6-2-3-7-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3,8H,1,4H2,(H,6,7)/b10-9-;
InChIKeySZEOHFRPOZFHQX-KVVVOXFISA-N
MW394.60 g/mol
LogP6.05
Rot. Bonds17

About 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid

2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid (PubChem CID 160978444) has the molecular formula C23H42N2O3 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid
PubChem CID160978444
Molecular FormulaC23H42N2O3
Molecular Weight394.60 g/mol
Exact Mass394.32
IUPAC Name2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.OCCc1ncc[nH]1
InChIInChI=1S/C18H34O2.C5H8N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-5-6-2-3-7-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3,8H,1,4H2,(H,6,7)/b10-9-;
InChIKeySZEOHFRPOZFHQX-KVVVOXFISA-N
XLogP6.05
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.05
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'}

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Related Compounds

2-butyl-1H-imidazole;hexanoic acid
CID 175164203
bis(ethane-1,2-diol);(Z)-octadec-9-enoic acid
CID 87653500
tris((Z)-icos-9-enoic acid);yttrium
CID 155704235
CID 173344476
CID 173344476
docosanoic acid;(Z)-docos-13-en-1-ol
CID 174511877
(Z)-docos-13-en-1-ol;tetradecanoic acid
CID 175083189
butane-1,4-diol;octadec-9-enoic acid
CID 57346584
(Z)-docos-13-en-1-ol;octadecanoic acid
CID 174497002
hexadecanoic acid;(Z)-octadec-9-en-1-ol
CID 174574592
butan-1-ol;tris((Z)-octadec-9-enoic acid)
CID 175775757
ethanol;(Z)-octadec-9-enoic acid
CID 86591822
(E)-octadec-8-enoic acid
CID 5282758

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid?
The IUPAC name of 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid (CID 160978444) is 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid.
What is the SMILES notation for 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid?
The canonical SMILES for 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.OCCc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid?
The InChIKey is SZEOHFRPOZFHQX-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C5H8N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-5-6-2-3-7-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3,8H,1,4H2,(H,6,7)/b10-9-;.
What are the key properties of 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid?
2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid has a molecular weight of 394.60 g/mol, XLogP of 6.05, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)ethanol;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 160978444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).