2-octadecyl-1H-imidazole;quinoline

C30H47N3 — CID 174817788

IUPAC2-octadecyl-1H-imidazole;quinoline
SMILESCCCCCCCCCCCCCCCCCCc1ncc[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C21H40N2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;1-2-6-9-8(4-1)5-3-7-10-9/h19-20H,2-18H2,1H3,(H,22,23);1-7H
InChIKeyCEWFWRSALYAHAK-UHFFFAOYSA-N
MW449.73 g/mol
LogP9.45
Rot. Bonds17

About 2-octadecyl-1H-imidazole;quinoline

2-octadecyl-1H-imidazole;quinoline (PubChem CID 174817788) has the molecular formula C30H47N3 and a molecular weight of 449.73 g/mol. Its IUPAC name is 2-octadecyl-1H-imidazole;quinoline.

Molecular Properties

Compound Name2-octadecyl-1H-imidazole;quinoline
PubChem CID174817788
Molecular FormulaC30H47N3
Molecular Weight449.73 g/mol
Exact Mass449.38
IUPAC Name2-octadecyl-1H-imidazole;quinoline
SMILESCCCCCCCCCCCCCCCCCCc1ncc[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C21H40N2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;1-2-6-9-8(4-1)5-3-7-10-9/h19-20H,2-18H2,1H3,(H,22,23);1-7H
InChIKeyCEWFWRSALYAHAK-UHFFFAOYSA-N
XLogP9.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-hexadecyl-1H-imidazole;urea
CID 174763574
3-octyl-1,2-thiazole;quinoline
CID 174933625
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
bis(1H-imidazol-2-yl)diazene;propane;quinoline;hydrochloride
CID 174665696
2-butyl-1H-imidazole;cyclohexane
CID 173413359
nonanoic acid;quinoline
CID 173189008

Frequently Asked Questions

What is the IUPAC name of 2-octadecyl-1H-imidazole;quinoline?
The IUPAC name of 2-octadecyl-1H-imidazole;quinoline (CID 174817788) is 2-octadecyl-1H-imidazole;quinoline.
What is the SMILES notation for 2-octadecyl-1H-imidazole;quinoline?
The canonical SMILES for 2-octadecyl-1H-imidazole;quinoline is CCCCCCCCCCCCCCCCCCc1ncc[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 2-octadecyl-1H-imidazole;quinoline?
The InChIKey is CEWFWRSALYAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;1-2-6-9-8(4-1)5-3-7-10-9/h19-20H,2-18H2,1H3,(H,22,23);1-7H.
What are the key properties of 2-octadecyl-1H-imidazole;quinoline?
2-octadecyl-1H-imidazole;quinoline has a molecular weight of 449.73 g/mol, XLogP of 9.45, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecyl-1H-imidazole;quinoline is sourced from PubChem (CID 174817788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).