2-butyl-5-tetradecyl-1H-imidazole;nitric acid

C21H41N3O3 — CID 158622630

IUPAC2-butyl-5-tetradecyl-1H-imidazole;nitric acid
SMILESCCCCCCCCCCCCCCc1cnc(CCCC)[nH]1.O=[N+]([O-])O
InChIInChI=1S/C21H40N2.HNO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-19-22-21(23-20)18-6-4-2;2-1(3)4/h19H,3-18H2,1-2H3,(H,22,23);(H,2,3,4)
InChIKeyRMBFJPXKCLGPKB-UHFFFAOYSA-N
MW383.58 g/mol
LogP6.65
Rot. Bonds16

About 2-butyl-5-tetradecyl-1H-imidazole;nitric acid

2-butyl-5-tetradecyl-1H-imidazole;nitric acid (PubChem CID 158622630) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-butyl-5-tetradecyl-1H-imidazole;nitric acid.

Molecular Properties

Compound Name2-butyl-5-tetradecyl-1H-imidazole;nitric acid
PubChem CID158622630
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC Name2-butyl-5-tetradecyl-1H-imidazole;nitric acid
SMILESCCCCCCCCCCCCCCc1cnc(CCCC)[nH]1.O=[N+]([O-])O
InChIInChI=1S/C21H40N2.HNO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-19-22-21(23-20)18-6-4-2;2-1(3)4/h19H,3-18H2,1-2H3,(H,22,23);(H,2,3,4)
InChIKeyRMBFJPXKCLGPKB-UHFFFAOYSA-N
XLogP6.65
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-butyl-2-ethyl-1H-imidazole;nitric acid
CID 174876419
acetic acid;2,5-dihexyl-1H-imidazole
CID 175376233
2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
CID 10617878
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
2-butyl-5-propyl-1H-imidazole
CID 68810469
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
sodium 2-(5-dodecyl-1H-imidazol-2-yl)ethyl sulfate
CID 23670271
2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
CID 175074966
2-hexyl-5-methyl-1H-imidazole;sulfuric acid
CID 175268220
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
5-methyl-2-octyl-1H-imidazole;trifluoromethanesulfonic acid
CID 174626345

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-tetradecyl-1H-imidazole;nitric acid?
The IUPAC name of 2-butyl-5-tetradecyl-1H-imidazole;nitric acid (CID 158622630) is 2-butyl-5-tetradecyl-1H-imidazole;nitric acid.
What is the SMILES notation for 2-butyl-5-tetradecyl-1H-imidazole;nitric acid?
The canonical SMILES for 2-butyl-5-tetradecyl-1H-imidazole;nitric acid is CCCCCCCCCCCCCCc1cnc(CCCC)[nH]1.O=[N+]([O-])O.
What is the InChIKey of 2-butyl-5-tetradecyl-1H-imidazole;nitric acid?
The InChIKey is RMBFJPXKCLGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2.HNO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-19-22-21(23-20)18-6-4-2;2-1(3)4/h19H,3-18H2,1-2H3,(H,22,23);(H,2,3,4).
What are the key properties of 2-butyl-5-tetradecyl-1H-imidazole;nitric acid?
2-butyl-5-tetradecyl-1H-imidazole;nitric acid has a molecular weight of 383.58 g/mol, XLogP of 6.65, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-tetradecyl-1H-imidazole;nitric acid is sourced from PubChem (CID 158622630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).