1-butyl-3-methyl-2H-imidazole;phthalic acid

C16H22N2O4 — CID 175355843

IUPAC1-butyl-3-methyl-2H-imidazole;phthalic acid
SMILESCCCCN1C=CN(C)C1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H16N2.C8H6O4/c1-3-4-5-10-7-6-9(2)8-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-7H,3-5,8H2,1-2H3;1-4H,(H,9,10)(H,11,12)
InChIKeyBMVGGXJRFZBEFR-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds5

About 1-butyl-3-methyl-2H-imidazole;phthalic acid

1-butyl-3-methyl-2H-imidazole;phthalic acid (PubChem CID 175355843) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;phthalic acid.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;phthalic acid
PubChem CID175355843
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-butyl-3-methyl-2H-imidazole;phthalic acid
SMILESCCCCN1C=CN(C)C1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H16N2.C8H6O4/c1-3-4-5-10-7-6-9(2)8-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-7H,3-5,8H2,1-2H3;1-4H,(H,9,10)(H,11,12)
InChIKeyBMVGGXJRFZBEFR-UHFFFAOYSA-N
XLogP2.55
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzoic acid;1-methyl-3-nonyl-2H-imidazole
CID 175229008
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-methyl-3-octyl-2H-imidazole;pyridine-2-carboxylic acid
CID 157351994
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-hexyl-3-methyl-2H-imidazole
CID 18513318
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
benzoic acid;1-ethyl-3-methyl-2H-imidazole
CID 171377191
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
CID 175710160

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;phthalic acid?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;phthalic acid (CID 175355843) is 1-butyl-3-methyl-2H-imidazole;phthalic acid.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;phthalic acid?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;phthalic acid is CCCCN1C=CN(C)C1.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;phthalic acid?
The InChIKey is BMVGGXJRFZBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H6O4/c1-3-4-5-10-7-6-9(2)8-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h6-7H,3-5,8H2,1-2H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of 1-butyl-3-methyl-2H-imidazole;phthalic acid?
1-butyl-3-methyl-2H-imidazole;phthalic acid has a molecular weight of 306.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;phthalic acid is sourced from PubChem (CID 175355843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).