4-dodecan-5-yl-1-methylimidazole

C16H30N2 — CID 138655717

IUPAC4-dodecan-5-yl-1-methylimidazole
SMILESCCCCCCCC(CCCC)c1cn(C)cn1
InChIInChI=1S/C16H30N2/c1-4-6-8-9-10-12-15(11-7-5-2)16-13-18(3)14-17-16/h13-15H,4-12H2,1-3H3
InChIKeyKLSBVNPTZIELOG-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.05
Rot. Bonds10

About 4-dodecan-5-yl-1-methylimidazole

4-dodecan-5-yl-1-methylimidazole (PubChem CID 138655717) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-dodecan-5-yl-1-methylimidazole.

Molecular Properties

Compound Name4-dodecan-5-yl-1-methylimidazole
PubChem CID138655717
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-dodecan-5-yl-1-methylimidazole
SMILESCCCCCCCC(CCCC)c1cn(C)cn1
InChIInChI=1S/C16H30N2/c1-4-6-8-9-10-12-15(11-7-5-2)16-13-18(3)14-17-16/h13-15H,4-12H2,1-3H3
InChIKeyKLSBVNPTZIELOG-UHFFFAOYSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.05
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-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
CID 107974273
1-(1-methylimidazol-4-yl)undecylhydrazine
CID 107979020
N-methyl-1-(1-methylimidazol-4-yl)hexan-1-amine
CID 107974330
2-methyl-6-tetradecan-7-ylpyridazin-3-one
CID 167050006
1-(1-methylimidazol-4-yl)oct-7-en-1-ol
CID 107978815
4-(1-chloropropyl)-1-methylimidazole
CID 130509834
4-decan-3-ylpyrimidine
CID 170150821
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
2-tridecan-6-ylpyridine
CID 139295924
6-decan-5-ylimidazo[1,2-b]pyridazine
CID 139513754
(4-hentetracontan-12-yltriazol-1-yl)methanamine
CID 118244729

Frequently Asked Questions

What is the IUPAC name of 4-dodecan-5-yl-1-methylimidazole?
The IUPAC name of 4-dodecan-5-yl-1-methylimidazole (CID 138655717) is 4-dodecan-5-yl-1-methylimidazole.
What is the SMILES notation for 4-dodecan-5-yl-1-methylimidazole?
The canonical SMILES for 4-dodecan-5-yl-1-methylimidazole is CCCCCCCC(CCCC)c1cn(C)cn1.
What is the InChIKey of 4-dodecan-5-yl-1-methylimidazole?
The InChIKey is KLSBVNPTZIELOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-6-8-9-10-12-15(11-7-5-2)16-13-18(3)14-17-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-dodecan-5-yl-1-methylimidazole?
4-dodecan-5-yl-1-methylimidazole has a molecular weight of 250.43 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecan-5-yl-1-methylimidazole is sourced from PubChem (CID 138655717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).