1-pentyl-2-undecyl-4,5-dihydroimidazole

C19H38N2 — CID 67928425

IUPAC1-pentyl-2-undecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCC1=NCCN1CCCCC
InChIInChI=1S/C19H38N2/c1-3-5-7-8-9-10-11-12-13-15-19-20-16-18-21(19)17-14-6-4-2/h3-18H2,1-2H3
InChIKeyNESXMRIQRWTYLI-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.81
Rot. Bonds14

About 1-pentyl-2-undecyl-4,5-dihydroimidazole

1-pentyl-2-undecyl-4,5-dihydroimidazole (PubChem CID 67928425) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-pentyl-2-undecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-pentyl-2-undecyl-4,5-dihydroimidazole
PubChem CID67928425
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-pentyl-2-undecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCC1=NCCN1CCCCC
InChIInChI=1S/C19H38N2/c1-3-5-7-8-9-10-11-12-13-15-19-20-16-18-21(19)17-14-6-4-2/h3-18H2,1-2H3
InChIKeyNESXMRIQRWTYLI-UHFFFAOYSA-N
XLogP5.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
CID 90309566
CID 90309566
1-(2-hexadecylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
CID 139774139
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783
(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
CID 69018271
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 3016399
acetic acid;1-(2-octadecyl-4,5-dihydroimidazol-1-yl)icosan-3-one
CID 173436266
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
2-[2-[(E)-tridec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327593
2-[2-[(E)-octadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327795

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-undecyl-4,5-dihydroimidazole?
The IUPAC name of 1-pentyl-2-undecyl-4,5-dihydroimidazole (CID 67928425) is 1-pentyl-2-undecyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-pentyl-2-undecyl-4,5-dihydroimidazole?
The canonical SMILES for 1-pentyl-2-undecyl-4,5-dihydroimidazole is CCCCCCCCCCCC1=NCCN1CCCCC.
What is the InChIKey of 1-pentyl-2-undecyl-4,5-dihydroimidazole?
The InChIKey is NESXMRIQRWTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-5-7-8-9-10-11-12-13-15-19-20-16-18-21(19)17-14-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1-pentyl-2-undecyl-4,5-dihydroimidazole?
1-pentyl-2-undecyl-4,5-dihydroimidazole has a molecular weight of 294.53 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-undecyl-4,5-dihydroimidazole is sourced from PubChem (CID 67928425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).