1-hexyl-3-methyl-2H-imidazole;quinoline

C19H27N3 — CID 159990969

IUPAC1-hexyl-3-methyl-2H-imidazole;quinoline
SMILESCCCCCCN1C=CN(C)C1.c1ccc2ncccc2c1
InChIInChI=1S/C10H20N2.C9H7N/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-2-6-9-8(4-1)5-3-7-10-9/h8-9H,3-7,10H2,1-2H3;1-7H
InChIKeyOGYBWCRGTVKMLL-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.48
Rot. Bonds5

About 1-hexyl-3-methyl-2H-imidazole;quinoline

1-hexyl-3-methyl-2H-imidazole;quinoline (PubChem CID 159990969) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-hexyl-3-methyl-2H-imidazole;quinoline.

Molecular Properties

Compound Name1-hexyl-3-methyl-2H-imidazole;quinoline
PubChem CID159990969
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-hexyl-3-methyl-2H-imidazole;quinoline
SMILESCCCCCCN1C=CN(C)C1.c1ccc2ncccc2c1
InChIInChI=1S/C10H20N2.C9H7N/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-2-6-9-8(4-1)5-3-7-10-9/h8-9H,3-7,10H2,1-2H3;1-7H
InChIKeyOGYBWCRGTVKMLL-UHFFFAOYSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
6-Methylquinoline
CID 7059
Triprolidine Hydrochloride Anhydrous
CID 5702129
2-Methylquinoline
CID 7060
5-Methylquinoxaline
CID 61670
4-Methylquinoline
CID 10285
5-Aminoisoquinoline
CID 70766
Lauryl Isoquinolinium Bromide
CID 7132
8-Methylquinoline
CID 11910

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methyl-2H-imidazole;quinoline?
The IUPAC name of 1-hexyl-3-methyl-2H-imidazole;quinoline (CID 159990969) is 1-hexyl-3-methyl-2H-imidazole;quinoline.
What is the SMILES notation for 1-hexyl-3-methyl-2H-imidazole;quinoline?
The canonical SMILES for 1-hexyl-3-methyl-2H-imidazole;quinoline is CCCCCCN1C=CN(C)C1.c1ccc2ncccc2c1.
What is the InChIKey of 1-hexyl-3-methyl-2H-imidazole;quinoline?
The InChIKey is OGYBWCRGTVKMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H7N/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-2-6-9-8(4-1)5-3-7-10-9/h8-9H,3-7,10H2,1-2H3;1-7H.
What are the key properties of 1-hexyl-3-methyl-2H-imidazole;quinoline?
1-hexyl-3-methyl-2H-imidazole;quinoline has a molecular weight of 297.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methyl-2H-imidazole;quinoline is sourced from PubChem (CID 159990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).