5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol

C20H40N2O — CID 70187734

IUPAC5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol
SMILESCCCCCCCCCCCCC1=NCC(CCCCCO)N1
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-13-16-20-21-18-19(22-20)15-12-11-14-17-23/h19,23H,2-18H2,1H3,(H,21,22)
InChIKeyVRFPOQWLWHKVDZ-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.22
Rot. Bonds16

About 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol

5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol (PubChem CID 70187734) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol
PubChem CID70187734
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol
SMILESCCCCCCCCCCCCC1=NCC(CCCCCO)N1
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-13-16-20-21-18-19(22-20)15-12-11-14-17-23/h19,23H,2-18H2,1H3,(H,21,22)
InChIKeyVRFPOQWLWHKVDZ-UHFFFAOYSA-N
XLogP5.22
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nonyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 123914747
2-(2-octadecyl-4,5-dihydro-1H-imidazol-5-yl)ethanol
CID 19376922
2-[5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 66623851
2,5-dibutyl-4,5-dihydro-1H-imidazole
CID 88688688
2-[5-(2-dodecylcyclohexyl)-4,5-dihydro-1H-imidazol-2-yl]ethanol
CID 70536806
8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
CID 98525976
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol?
The IUPAC name of 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol (CID 70187734) is 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol.
What is the SMILES notation for 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol?
The canonical SMILES for 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol is CCCCCCCCCCCCC1=NCC(CCCCCO)N1.
What is the InChIKey of 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol?
The InChIKey is VRFPOQWLWHKVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-13-16-20-21-18-19(22-20)15-12-11-14-17-23/h19,23H,2-18H2,1H3,(H,21,22).
What are the key properties of 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol?
5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol has a molecular weight of 324.55 g/mol, XLogP of 5.22, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dodecyl-4,5-dihydro-1H-imidazol-5-yl)pentan-1-ol is sourced from PubChem (CID 70187734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).