17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol

C22H44N2O2 — CID 139606618

IUPAC17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
SMILESCCCCCCC(O)CCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H44N2O2/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22-23-17-18-24(22)19-20-25/h21,25-26H,2-20H2,1H3
InChIKeyRLRDTVBHAKPWFD-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.93
Rot. Bonds18

About 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol

17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol (PubChem CID 139606618) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol.

Molecular Properties

Compound Name17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
PubChem CID139606618
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
SMILESCCCCCCC(O)CCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C22H44N2O2/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22-23-17-18-24(22)19-20-25/h21,25-26H,2-20H2,1H3
InChIKeyRLRDTVBHAKPWFD-UHFFFAOYSA-N
XLogP4.93
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol?
The IUPAC name of 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol (CID 139606618) is 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol.
What is the SMILES notation for 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol?
The canonical SMILES for 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol is CCCCCCC(O)CCCCCCCCCCC1=NCCN1CCO.
What is the InChIKey of 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol?
The InChIKey is RLRDTVBHAKPWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22-23-17-18-24(22)19-20-25/h21,25-26H,2-20H2,1H3.
What are the key properties of 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol?
17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol has a molecular weight of 368.61 g/mol, XLogP of 4.93, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol is sourced from PubChem (CID 139606618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).