2-heptyl-1-methyl-3-nonadecyl-2H-imidazole

C30H60N2 — CID 69392391

IUPAC2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(C)C1CCCCCCC
InChIInChI=1S/C30H60N2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-32-29-28-31(3)30(32)26-24-22-9-7-5-2/h28-30H,4-27H2,1-3H3
InChIKeyWVKWMEHCTVXPEU-UHFFFAOYSA-N
MW448.82 g/mol
LogP10.04
Rot. Bonds24

About 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole

2-heptyl-1-methyl-3-nonadecyl-2H-imidazole (PubChem CID 69392391) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole.

Molecular Properties

Compound Name2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
PubChem CID69392391
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCN1C=CN(C)C1CCCCCCC
InChIInChI=1S/C30H60N2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-32-29-28-31(3)30(32)26-24-22-9-7-5-2/h28-30H,4-27H2,1-3H3
InChIKeyWVKWMEHCTVXPEU-UHFFFAOYSA-N
XLogP10.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 510.04
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

1-methyl-2,3-di(nonyl)-2H-imidazole
CID 69396034
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
CID 69389602
2-heptyl-1-methyl-3-pentyl-2H-imidazole
CID 69387496
2-butyl-1-methyl-3-octyl-2H-imidazole
CID 69390542
2-butyl-1-dodecyl-3-methyl-2H-imidazole
CID 69393708
1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
CID 174520441
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682
1-heptadecyl-2,3-dioctadecyl-2H-imidazole
CID 69389469
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole?
The IUPAC name of 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole (CID 69392391) is 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole.
What is the SMILES notation for 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole?
The canonical SMILES for 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCN1C=CN(C)C1CCCCCCC.
What is the InChIKey of 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole?
The InChIKey is WVKWMEHCTVXPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-32-29-28-31(3)30(32)26-24-22-9-7-5-2/h28-30H,4-27H2,1-3H3.
What are the key properties of 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole?
2-heptyl-1-methyl-3-nonadecyl-2H-imidazole has a molecular weight of 448.82 g/mol, XLogP of 10.04, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-methyl-3-nonadecyl-2H-imidazole is sourced from PubChem (CID 69392391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).