1H-imidazole-2-carboxylic acid;tetradecylphosphane

C18H35N2O2P — CID 173201174

IUPAC1H-imidazole-2-carboxylic acid;tetradecylphosphane
SMILESCCCCCCCCCCCCCCP.O=C(O)c1ncc[nH]1
InChIInChI=1S/C14H31P.C4H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;7-4(8)3-5-1-2-6-3/h2-15H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyZPZSUXZONPUVDQ-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.67
Rot. Bonds13

About 1H-imidazole-2-carboxylic acid;tetradecylphosphane

1H-imidazole-2-carboxylic acid;tetradecylphosphane (PubChem CID 173201174) has the molecular formula C18H35N2O2P and a molecular weight of 342.46 g/mol. Its IUPAC name is 1H-imidazole-2-carboxylic acid;tetradecylphosphane.

Molecular Properties

Compound Name1H-imidazole-2-carboxylic acid;tetradecylphosphane
PubChem CID173201174
Molecular FormulaC18H35N2O2P
Molecular Weight342.46 g/mol
Exact Mass342.24
IUPAC Name1H-imidazole-2-carboxylic acid;tetradecylphosphane
SMILESCCCCCCCCCCCCCCP.O=C(O)c1ncc[nH]1
InChIInChI=1S/C14H31P.C4H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;7-4(8)3-5-1-2-6-3/h2-15H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyZPZSUXZONPUVDQ-UHFFFAOYSA-N
XLogP5.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;tetradecylphosphane
CID 175118977
2-hexadecyl-1H-imidazole;urea
CID 174763574
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
hexanoic acid;tetradecylphosphane
CID 175307671
N-[(2R)-4-amino-1-(1H-imidazol-2-yl)-1,4-dioxobutan-2-yl]octanamide
CID 162387371
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole
CID 70464310
2-octyl-1H-imidazole
CID 18347297
2-octadecyl-1H-imidazole
CID 54221067
2-dodecyl-1H-imidazole
CID 22019838
2-decyl-1H-imidazole
CID 3089145
bis(1H-imidazol-2-yl)methanone;propylphosphonic acid
CID 175580950

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-2-carboxylic acid;tetradecylphosphane?
The IUPAC name of 1H-imidazole-2-carboxylic acid;tetradecylphosphane (CID 173201174) is 1H-imidazole-2-carboxylic acid;tetradecylphosphane.
What is the SMILES notation for 1H-imidazole-2-carboxylic acid;tetradecylphosphane?
The canonical SMILES for 1H-imidazole-2-carboxylic acid;tetradecylphosphane is CCCCCCCCCCCCCCP.O=C(O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazole-2-carboxylic acid;tetradecylphosphane?
The InChIKey is ZPZSUXZONPUVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P.C4H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;7-4(8)3-5-1-2-6-3/h2-15H2,1H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of 1H-imidazole-2-carboxylic acid;tetradecylphosphane?
1H-imidazole-2-carboxylic acid;tetradecylphosphane has a molecular weight of 342.46 g/mol, XLogP of 5.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-2-carboxylic acid;tetradecylphosphane is sourced from PubChem (CID 173201174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).