2-heptadecan-2-yl-4,5-dihydro-1H-imidazole

C20H40N2 — CID 53315185

IUPAC2-heptadecan-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC(C)C1=NCCN1
InChIInChI=1S/C20H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20-21-17-18-22-20/h19H,3-18H2,1-2H3,(H,21,22)
InChIKeyPMMGAGVYCSUSTD-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.11
Rot. Bonds15

About 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole

2-heptadecan-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 53315185) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-heptadecan-2-yl-4,5-dihydro-1H-imidazole
PubChem CID53315185
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name2-heptadecan-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCCCCCCCCC(C)C1=NCCN1
InChIInChI=1S/C20H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20-21-17-18-22-20/h19H,3-18H2,1-2H3,(H,21,22)
InChIKeyPMMGAGVYCSUSTD-UHFFFAOYSA-N
XLogP6.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.11
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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Frequently Asked Questions

What is the IUPAC name of 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole (CID 53315185) is 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole is CCCCCCCCCCCCCCCC(C)C1=NCCN1.
What is the InChIKey of 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is PMMGAGVYCSUSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20-21-17-18-22-20/h19H,3-18H2,1-2H3,(H,21,22).
What are the key properties of 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole?
2-heptadecan-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.11, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecan-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 53315185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).