1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole

C30H60N2 — CID 69387857

IUPAC1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1C(C)C
InChIInChI=1S/C30H60N2/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-32-28-27-31(30(32)29(3)4)25-23-21-10-8-6-2/h27-30H,5-26H2,1-4H3
InChIKeyLRCLIJVOKVKOIG-UHFFFAOYSA-N
MW448.82 g/mol
LogP9.90
Rot. Bonds23

About 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole

1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole (PubChem CID 69387857) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
PubChem CID69387857
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1C(C)C
InChIInChI=1S/C30H60N2/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-32-28-27-31(30(32)29(3)4)25-23-21-10-8-6-2/h27-30H,5-26H2,1-4H3
InChIKeyLRCLIJVOKVKOIG-UHFFFAOYSA-N
XLogP9.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 59.90
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-dodecyl-3-octyl-2-propan-2-yl-2H-imidazole
CID 69391159
1-nonyl-3-pentyl-2-propan-2-yl-2H-imidazole
CID 69397364
1-dodecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69393125
1-octyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392585
1-heptyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392910
1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69390605
2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
CID 69395899
1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
CID 69390848
1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
CID 69394898
1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
CID 69389284
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519

Frequently Asked Questions

What is the IUPAC name of 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole?
The IUPAC name of 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole (CID 69387857) is 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole is CCCCCCCCCCCCCCCCCN1C=CN(CCCCCCC)C1C(C)C.
What is the InChIKey of 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole?
The InChIKey is LRCLIJVOKVKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-32-28-27-31(30(32)29(3)4)25-23-21-10-8-6-2/h27-30H,5-26H2,1-4H3.
What are the key properties of 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole?
1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole has a molecular weight of 448.82 g/mol, XLogP of 9.90, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69387857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).