formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole

C23H42N2O4 — CID 175228786

IUPACformic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(C)C1.O=CO.OCc1ccco1
InChIInChI=1S/C17H34N2.C5H6O2.CH2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16-15-18(2)17-19;6-4-5-2-1-3-7-5;2-1-3/h15-16H,3-14,17H2,1-2H3;1-3,6H,4H2;1H,(H,2,3)
InChIKeyLXSRFGCCKXJKIU-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.45
Rot. Bonds13

About formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole

formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole (PubChem CID 175228786) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Nameformic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole
PubChem CID175228786
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Nameformic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(C)C1.O=CO.OCc1ccco1
InChIInChI=1S/C17H34N2.C5H6O2.CH2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16-15-18(2)17-19;6-4-5-2-1-3-7-5;2-1-3/h15-16H,3-14,17H2,1-2H3;1-3,6H,4H2;1H,(H,2,3)
InChIKeyLXSRFGCCKXJKIU-UHFFFAOYSA-N
XLogP5.45
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-2H-imidazole;formic acid;furan
CID 175545923
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
3-(hydroxymethyl)benzoic acid;1-methyl-3-undecyl-2H-imidazole
CID 175228795
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
formic acid;furan-2-yl-(3-methyl-1-octyl-2H-imidazol-4-yl)methanol
CID 175229006
1-hexyl-3-methyl-2H-imidazole;nitric acid
CID 170919718

Frequently Asked Questions

What is the IUPAC name of formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole?
The IUPAC name of formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole (CID 175228786) is formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole?
The canonical SMILES for formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCN1C=CN(C)C1.O=CO.OCc1ccco1.
What is the InChIKey of formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole?
The InChIKey is LXSRFGCCKXJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.C5H6O2.CH2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16-15-18(2)17-19;6-4-5-2-1-3-7-5;2-1-3/h15-16H,3-14,17H2,1-2H3;1-3,6H,4H2;1H,(H,2,3).
What are the key properties of formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole?
formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole has a molecular weight of 410.60 g/mol, XLogP of 5.45, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 175228786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).