2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole

C22H44N2O — CID 174291982

IUPAC2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCCC(OCC)C1=NCCN1
InChIInChI=1S/C22H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25-4-2)22-23-19-20-24-22/h21H,3-20H2,1-2H3,(H,23,24)
InChIKeyWNIZOGKZPIZUTA-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.26
Rot. Bonds18

About 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole

2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole (PubChem CID 174291982) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
PubChem CID174291982
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCCC(OCC)C1=NCCN1
InChIInChI=1S/C22H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25-4-2)22-23-19-20-24-22/h21H,3-20H2,1-2H3,(H,23,24)
InChIKeyWNIZOGKZPIZUTA-UHFFFAOYSA-N
XLogP6.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
CID 67821023
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
CID 67644181
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397
1-ethoxydecylbenzene
CID 71423896
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815
15-(aminomethyl)-17-(4,5-dihydro-1H-imidazol-2-yl)nonacosan-14-one
CID 67804414
1,4-dibromo-2,5-bis(1-ethoxyheptyl)benzene
CID 102588788
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
9-ethoxyoctadecane
CID 87148376
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole
CID 55286461

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole (CID 174291982) is 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCCCC(OCC)C1=NCCN1.
What is the InChIKey of 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole?
The InChIKey is WNIZOGKZPIZUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25-4-2)22-23-19-20-24-22/h21H,3-20H2,1-2H3,(H,23,24).
What are the key properties of 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole?
2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole has a molecular weight of 352.61 g/mol, XLogP of 6.26, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 174291982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).