1,2-dibutyl-3-heptyl-2H-imidazole

C18H36N2 — CID 69386884

IUPAC1,2-dibutyl-3-heptyl-2H-imidazole
SMILESCCCCCCCN1C=CN(CCCC)C1CCCC
InChIInChI=1S/C18H36N2/c1-4-7-10-11-12-15-20-17-16-19(14-9-6-3)18(20)13-8-5-2/h16-18H,4-15H2,1-3H3
InChIKeyCCHCZFXXPGKOAM-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.36
Rot. Bonds12

About 1,2-dibutyl-3-heptyl-2H-imidazole

1,2-dibutyl-3-heptyl-2H-imidazole (PubChem CID 69386884) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1,2-dibutyl-3-heptyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dibutyl-3-heptyl-2H-imidazole
PubChem CID69386884
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1,2-dibutyl-3-heptyl-2H-imidazole
SMILESCCCCCCCN1C=CN(CCCC)C1CCCC
InChIInChI=1S/C18H36N2/c1-4-7-10-11-12-15-20-17-16-19(14-9-6-3)18(20)13-8-5-2/h16-18H,4-15H2,1-3H3
InChIKeyCCHCZFXXPGKOAM-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-butyl-1-hexadecyl-3-octyl-2H-imidazole
CID 69391441
2-butyl-1,3-di(heptadecyl)-2H-imidazole
CID 69390303
1-butyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389669
1-butyl-3-hexyl-2-tridecyl-2H-imidazole
CID 69390321
1-butyl-2,3-di(heptadecyl)-2H-imidazole
CID 69387120
1-butyl-3-dodecyl-2-tetradecyl-2H-imidazole
CID 69390793
1-butyl-2-octyl-3-tetradecyl-2H-imidazole
CID 69395152
1-butyl-3-pentyl-2-undecyl-2H-imidazole
CID 69387888
1-butyl-2-heptyl-3-hexyl-2H-imidazole
CID 69391242
1-butyl-2-pentadecyl-3-pentyl-2H-imidazole
CID 69385873
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3-heptyl-2H-imidazole?
The IUPAC name of 1,2-dibutyl-3-heptyl-2H-imidazole (CID 69386884) is 1,2-dibutyl-3-heptyl-2H-imidazole.
What is the SMILES notation for 1,2-dibutyl-3-heptyl-2H-imidazole?
The canonical SMILES for 1,2-dibutyl-3-heptyl-2H-imidazole is CCCCCCCN1C=CN(CCCC)C1CCCC.
What is the InChIKey of 1,2-dibutyl-3-heptyl-2H-imidazole?
The InChIKey is CCHCZFXXPGKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-10-11-12-15-20-17-16-19(14-9-6-3)18(20)13-8-5-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 1,2-dibutyl-3-heptyl-2H-imidazole?
1,2-dibutyl-3-heptyl-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 1,2-dibutyl-3-heptyl-2H-imidazole is sourced from PubChem (CID 69386884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).