2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole

C19H38N4 — CID 159869190

IUPAC2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
SMILESCC1=NCC(C)N1.CCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C14H28N2.C5H10N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-4-3-6-5(2)7-4/h2-13H2,1H3,(H,15,16);4H,3H2,1-2H3,(H,6,7)
InChIKeyNSCUDSWAVMBBOX-UHFFFAOYSA-N
MW322.54 g/mol
LogP4.31
Rot. Bonds10

About 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole

2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole (PubChem CID 159869190) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
PubChem CID159869190
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
SMILESCC1=NCC(C)N1.CCCCCCCCCCCC1=NCCN1
InChIInChI=1S/C14H28N2.C5H10N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-4-3-6-5(2)7-4/h2-13H2,1H3,(H,15,16);4H,3H2,1-2H3,(H,6,7)
InChIKeyNSCUDSWAVMBBOX-UHFFFAOYSA-N
XLogP4.31
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.31
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 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole (CID 159869190) is 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole is CC1=NCC(C)N1.CCCCCCCCCCCC1=NCCN1.
What is the InChIKey of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole?
The InChIKey is NSCUDSWAVMBBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C5H10N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-4-3-6-5(2)7-4/h2-13H2,1H3,(H,15,16);4H,3H2,1-2H3,(H,6,7).
What are the key properties of 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole?
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole has a molecular weight of 322.54 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 159869190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).