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

C23H35N3 — CID 174548423

IUPAC1-decyl-3-methyl-2H-imidazole;quinoline
SMILESCCCCCCCCCCN1C=CN(C)C1.c1ccc2ncccc2c1
InChIInChI=1S/C14H28N2.C9H7N/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-2-6-9-8(4-1)5-3-7-10-9/h12-13H,3-11,14H2,1-2H3;1-7H
InChIKeyJMEVAYKXJXRMCI-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.04
Rot. Bonds9

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

1-decyl-3-methyl-2H-imidazole;quinoline (PubChem CID 174548423) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-decyl-3-methyl-2H-imidazole;quinoline.

Molecular Properties

Compound Name1-decyl-3-methyl-2H-imidazole;quinoline
PubChem CID174548423
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name1-decyl-3-methyl-2H-imidazole;quinoline
SMILESCCCCCCCCCCN1C=CN(C)C1.c1ccc2ncccc2c1
InChIInChI=1S/C14H28N2.C9H7N/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-2-6-9-8(4-1)5-3-7-10-9/h12-13H,3-11,14H2,1-2H3;1-7H
InChIKeyJMEVAYKXJXRMCI-UHFFFAOYSA-N
XLogP6.04
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.04
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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Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methyl-2H-imidazole;quinoline?
The IUPAC name of 1-decyl-3-methyl-2H-imidazole;quinoline (CID 174548423) is 1-decyl-3-methyl-2H-imidazole;quinoline.
What is the SMILES notation for 1-decyl-3-methyl-2H-imidazole;quinoline?
The canonical SMILES for 1-decyl-3-methyl-2H-imidazole;quinoline is CCCCCCCCCCN1C=CN(C)C1.c1ccc2ncccc2c1.
What is the InChIKey of 1-decyl-3-methyl-2H-imidazole;quinoline?
The InChIKey is JMEVAYKXJXRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C9H7N/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-2-6-9-8(4-1)5-3-7-10-9/h12-13H,3-11,14H2,1-2H3;1-7H.
What are the key properties of 1-decyl-3-methyl-2H-imidazole;quinoline?
1-decyl-3-methyl-2H-imidazole;quinoline has a molecular weight of 353.55 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methyl-2H-imidazole;quinoline is sourced from PubChem (CID 174548423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).