1-dodecyl-3-methyl-2H-imidazole

C16H32N2 — CID 18513314

IUPAC1-dodecyl-3-methyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18/h14-15H,3-13,16H2,1-2H3
InChIKeyDVNFMHWKXQEEAH-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.58
Rot. Bonds11

About 1-dodecyl-3-methyl-2H-imidazole

1-dodecyl-3-methyl-2H-imidazole (PubChem CID 18513314) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-dodecyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-3-methyl-2H-imidazole
PubChem CID18513314
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-dodecyl-3-methyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18/h14-15H,3-13,16H2,1-2H3
InChIKeyDVNFMHWKXQEEAH-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-methyl-2H-imidazole?
The IUPAC name of 1-dodecyl-3-methyl-2H-imidazole (CID 18513314) is 1-dodecyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-3-methyl-2H-imidazole is CCCCCCCCCCCCN1C=CN(C)C1.
What is the InChIKey of 1-dodecyl-3-methyl-2H-imidazole?
The InChIKey is DVNFMHWKXQEEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 1-dodecyl-3-methyl-2H-imidazole?
1-dodecyl-3-methyl-2H-imidazole has a molecular weight of 252.45 g/mol, XLogP of 4.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methyl-2H-imidazole is sourced from PubChem (CID 18513314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).