2-tridecan-3-yl-4,5-dihydro-1H-imidazole

C16H32N2 — CID 22280920

IUPAC2-tridecan-3-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCC(CC)C1=NCCN1
InChIInChI=1S/C16H32N2/c1-3-5-6-7-8-9-10-11-12-15(4-2)16-17-13-14-18-16/h15H,3-14H2,1-2H3,(H,17,18)
InChIKeyYIJPLGIYWWQTMS-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.55
Rot. Bonds11

About 2-tridecan-3-yl-4,5-dihydro-1H-imidazole

2-tridecan-3-yl-4,5-dihydro-1H-imidazole (PubChem CID 22280920) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-tridecan-3-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-tridecan-3-yl-4,5-dihydro-1H-imidazole
PubChem CID22280920
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-tridecan-3-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCC(CC)C1=NCCN1
InChIInChI=1S/C16H32N2/c1-3-5-6-7-8-9-10-11-12-15(4-2)16-17-13-14-18-16/h15H,3-14H2,1-2H3,(H,17,18)
InChIKeyYIJPLGIYWWQTMS-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
CID 67644181
2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
CID 174291982
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
CID 67821023
15-(aminomethyl)-17-(4,5-dihydro-1H-imidazol-2-yl)nonacosan-14-one
CID 67804414
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397
2-nonan-3-yl-4,5-dihydroimidazol-1-amine
CID 174587936
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
2-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-disulfonic acid
CID 141259723
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
5-dodecan-6-yl-1,2-thiazole
CID 134557589

Frequently Asked Questions

What is the IUPAC name of 2-tridecan-3-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-tridecan-3-yl-4,5-dihydro-1H-imidazole (CID 22280920) is 2-tridecan-3-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-tridecan-3-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-tridecan-3-yl-4,5-dihydro-1H-imidazole is CCCCCCCCCCC(CC)C1=NCCN1.
What is the InChIKey of 2-tridecan-3-yl-4,5-dihydro-1H-imidazole?
The InChIKey is YIJPLGIYWWQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-5-6-7-8-9-10-11-12-15(4-2)16-17-13-14-18-16/h15H,3-14H2,1-2H3,(H,17,18).
What are the key properties of 2-tridecan-3-yl-4,5-dihydro-1H-imidazole?
2-tridecan-3-yl-4,5-dihydro-1H-imidazole has a molecular weight of 252.45 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecan-3-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22280920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).