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

C23H46N2 — CID 69398132

IUPAC1,3-dibutyl-2-dodecyl-2H-imidazole
SMILESCCCCCCCCCCCCC1N(CCCC)C=CN1CCCC
InChIInChI=1S/C23H46N2/c1-4-7-10-11-12-13-14-15-16-17-18-23-24(19-8-5-2)21-22-25(23)20-9-6-3/h21-23H,4-20H2,1-3H3
InChIKeyHHSCTTKSFWOJSD-UHFFFAOYSA-N
MW350.64 g/mol
LogP7.31
Rot. Bonds17

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

1,3-dibutyl-2-dodecyl-2H-imidazole (PubChem CID 69398132) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 1,3-dibutyl-2-dodecyl-2H-imidazole.

Molecular Properties

Compound Name1,3-dibutyl-2-dodecyl-2H-imidazole
PubChem CID69398132
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name1,3-dibutyl-2-dodecyl-2H-imidazole
SMILESCCCCCCCCCCCCC1N(CCCC)C=CN1CCCC
InChIInChI=1S/C23H46N2/c1-4-7-10-11-12-13-14-15-16-17-18-23-24(19-8-5-2)21-22-25(23)20-9-6-3/h21-23H,4-20H2,1-3H3
InChIKeyHHSCTTKSFWOJSD-UHFFFAOYSA-N
XLogP7.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 57.31
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-butyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389669
1-butyl-3-pentyl-2-undecyl-2H-imidazole
CID 69387888
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-2-pentadecyl-3-pentyl-2H-imidazole
CID 69385873
1-butyl-2-heptyl-3-hexyl-2H-imidazole
CID 69391242
1-decyl-2-octyl-3-tetradecyl-2H-imidazole
CID 69396702
1-pentadecyl-3-tetradecyl-2-tridecyl-2H-imidazole
CID 69388450
1-heptadecyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69390678
2-heptyl-1-nonyl-3-pentyl-2H-imidazole
CID 69388451

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-dodecyl-2H-imidazole?
The IUPAC name of 1,3-dibutyl-2-dodecyl-2H-imidazole (CID 69398132) is 1,3-dibutyl-2-dodecyl-2H-imidazole.
What is the SMILES notation for 1,3-dibutyl-2-dodecyl-2H-imidazole?
The canonical SMILES for 1,3-dibutyl-2-dodecyl-2H-imidazole is CCCCCCCCCCCCC1N(CCCC)C=CN1CCCC.
What is the InChIKey of 1,3-dibutyl-2-dodecyl-2H-imidazole?
The InChIKey is HHSCTTKSFWOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-4-7-10-11-12-13-14-15-16-17-18-23-24(19-8-5-2)21-22-25(23)20-9-6-3/h21-23H,4-20H2,1-3H3.
What are the key properties of 1,3-dibutyl-2-dodecyl-2H-imidazole?
1,3-dibutyl-2-dodecyl-2H-imidazole has a molecular weight of 350.64 g/mol, XLogP of 7.31, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-dodecyl-2H-imidazole is sourced from PubChem (CID 69398132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).