sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate

C22H43N2NaO2 — CID 174767010

IUPACsodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)N1C=NCC1.[H-].[Na+]
InChIInChI=1S/C22H42N2O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)24-19-18-23-21-24;;/h21H,2-20H2,1H3;;/q;+1;-1
InChIKeyLOTPKDHJNLOISR-UHFFFAOYSA-N
MW390.59 g/mol
LogP3.84
Rot. Bonds17

About sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate

sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate (PubChem CID 174767010) has the molecular formula C22H43N2NaO2 and a molecular weight of 390.59 g/mol. Its IUPAC name is sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Namesodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate
PubChem CID174767010
Molecular FormulaC22H43N2NaO2
Molecular Weight390.59 g/mol
Exact Mass390.32
IUPAC Namesodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)N1C=NCC1.[H-].[Na+]
InChIInChI=1S/C22H42N2O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)24-19-18-23-21-24;;/h21H,2-20H2,1H3;;/q;+1;-1
InChIKeyLOTPKDHJNLOISR-UHFFFAOYSA-N
XLogP3.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate 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

sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
disodium;ditridecyl 4,5-dihydroimidazol-1-ium-1,1-dicarboxylate;hydride
CID 173462212
hexyl pyrazole-1-carboxylate
CID 134846736
butyl aziridine-1-carboxylate
CID 12641
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium;hydride;octadecyl hexadecanoate
CID 174467496
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
tridecyl 2-(2-oxo-2-tridecoxyethyl)sulfanylacetate
CID 134207809
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate (CID 174767010) is sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate is CCCCCCCCCCCCCCCCCCOC(=O)N1C=NCC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate?
The InChIKey is LOTPKDHJNLOISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)24-19-18-23-21-24;;/h21H,2-20H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate?
sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate has a molecular weight of 390.59 g/mol, XLogP of 3.84, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octadecyl 4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 174767010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).