1,3-diheptyl-2-methyl-2H-imidazole

C18H36N2 — CID 69394446

IUPAC1,3-diheptyl-2-methyl-2H-imidazole
SMILESCCCCCCCN1C=CN(CCCCCCC)C1C
InChIInChI=1S/C18H36N2/c1-4-6-8-10-12-14-19-16-17-20(18(19)3)15-13-11-9-7-5-2/h16-18H,4-15H2,1-3H3
InChIKeyPFZWUFSWEPUREK-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.36
Rot. Bonds12

About 1,3-diheptyl-2-methyl-2H-imidazole

1,3-diheptyl-2-methyl-2H-imidazole (PubChem CID 69394446) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1,3-diheptyl-2-methyl-2H-imidazole.

Molecular Properties

Compound Name1,3-diheptyl-2-methyl-2H-imidazole
PubChem CID69394446
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1,3-diheptyl-2-methyl-2H-imidazole
SMILESCCCCCCCN1C=CN(CCCCCCC)C1C
InChIInChI=1S/C18H36N2/c1-4-6-8-10-12-14-19-16-17-20(18(19)3)15-13-11-9-7-5-2/h16-18H,4-15H2,1-3H3
InChIKeyPFZWUFSWEPUREK-UHFFFAOYSA-N
XLogP5.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.36
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-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686
1-ethyl-3-heptadecyl-2-methyl-2H-imidazole
CID 69396423
1-decyl-3-ethyl-2-methyl-2H-imidazole
CID 69393103
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702

Frequently Asked Questions

What is the IUPAC name of 1,3-diheptyl-2-methyl-2H-imidazole?
The IUPAC name of 1,3-diheptyl-2-methyl-2H-imidazole (CID 69394446) is 1,3-diheptyl-2-methyl-2H-imidazole.
What is the SMILES notation for 1,3-diheptyl-2-methyl-2H-imidazole?
The canonical SMILES for 1,3-diheptyl-2-methyl-2H-imidazole is CCCCCCCN1C=CN(CCCCCCC)C1C.
What is the InChIKey of 1,3-diheptyl-2-methyl-2H-imidazole?
The InChIKey is PFZWUFSWEPUREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-6-8-10-12-14-19-16-17-20(18(19)3)15-13-11-9-7-5-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 1,3-diheptyl-2-methyl-2H-imidazole?
1,3-diheptyl-2-methyl-2H-imidazole has a molecular weight of 280.50 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diheptyl-2-methyl-2H-imidazole is sourced from PubChem (CID 69394446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).