1-methyl-2-pentadecylimidazole

C19H36N2 — CID 68899434

IUPAC1-methyl-2-pentadecylimidazole
SMILESCCCCCCCCCCCCCCCc1nccn1C
InChIInChI=1S/C19H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21(19)2/h17-18H,3-16H2,1-2H3
InChIKeyAZQJGCTTWZIDJU-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.05
Rot. Bonds14

About 1-methyl-2-pentadecylimidazole

1-methyl-2-pentadecylimidazole (PubChem CID 68899434) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-methyl-2-pentadecylimidazole.

Molecular Properties

Compound Name1-methyl-2-pentadecylimidazole
PubChem CID68899434
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-methyl-2-pentadecylimidazole
SMILESCCCCCCCCCCCCCCCc1nccn1C
InChIInChI=1S/C19H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21(19)2/h17-18H,3-16H2,1-2H3
InChIKeyAZQJGCTTWZIDJU-UHFFFAOYSA-N
XLogP6.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.05
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-methyl-2-nonylimidazole
CID 67393993
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-butyl-1-methylimidazole;fluoroform
CID 162050255
2-dodecyl-1-methylimidazole;prop-2-enoic acid
CID 175068688
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
azane;1-methyl-2-propylimidazole
CID 174525892
1,2-di(pentadecyl)imidazole
CID 69388452
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
1-bromo-2-heptylimidazole
CID 141436995

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentadecylimidazole?
The IUPAC name of 1-methyl-2-pentadecylimidazole (CID 68899434) is 1-methyl-2-pentadecylimidazole.
What is the SMILES notation for 1-methyl-2-pentadecylimidazole?
The canonical SMILES for 1-methyl-2-pentadecylimidazole is CCCCCCCCCCCCCCCc1nccn1C.
What is the InChIKey of 1-methyl-2-pentadecylimidazole?
The InChIKey is AZQJGCTTWZIDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21(19)2/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-methyl-2-pentadecylimidazole?
1-methyl-2-pentadecylimidazole has a molecular weight of 292.51 g/mol, XLogP of 6.05, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentadecylimidazole is sourced from PubChem (CID 68899434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).