1,2-dimethyl-3-undecyl-2H-imidazole

C16H32N2 — CID 69386948

IUPAC1,2-dimethyl-3-undecyl-2H-imidazole
SMILESCCCCCCCCCCCN1C=CN(C)C1C
InChIInChI=1S/C16H32N2/c1-4-5-6-7-8-9-10-11-12-13-18-15-14-17(3)16(18)2/h14-16H,4-13H2,1-3H3
InChIKeyGUWJOUIKJWJNOX-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.58
Rot. Bonds10

About 1,2-dimethyl-3-undecyl-2H-imidazole

1,2-dimethyl-3-undecyl-2H-imidazole (PubChem CID 69386948) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1,2-dimethyl-3-undecyl-2H-imidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-undecyl-2H-imidazole
PubChem CID69386948
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1,2-dimethyl-3-undecyl-2H-imidazole
SMILESCCCCCCCCCCCN1C=CN(C)C1C
InChIInChI=1S/C16H32N2/c1-4-5-6-7-8-9-10-11-12-13-18-15-14-17(3)16(18)2/h14-16H,4-13H2,1-3H3
InChIKeyGUWJOUIKJWJNOX-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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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Related Compounds

1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702
1,2-dimethyl-3-pentadecyl-2H-imidazole
CID 69388793
1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
CID 174775383
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
CID 175868504

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-undecyl-2H-imidazole?
The IUPAC name of 1,2-dimethyl-3-undecyl-2H-imidazole (CID 69386948) is 1,2-dimethyl-3-undecyl-2H-imidazole.
What is the SMILES notation for 1,2-dimethyl-3-undecyl-2H-imidazole?
The canonical SMILES for 1,2-dimethyl-3-undecyl-2H-imidazole is CCCCCCCCCCCN1C=CN(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-undecyl-2H-imidazole?
The InChIKey is GUWJOUIKJWJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-5-6-7-8-9-10-11-12-13-18-15-14-17(3)16(18)2/h14-16H,4-13H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-undecyl-2H-imidazole?
1,2-dimethyl-3-undecyl-2H-imidazole has a molecular weight of 252.45 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-undecyl-2H-imidazole is sourced from PubChem (CID 69386948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).